data_CoNiIrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiIrAu
_chemical_formula_sum   'Co1 Ni1 Ir1 Au1'
_cell_volume   54.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.5  0.5  0.5  1.0
  Au  Au0  1  0.5  0.5  0.5  1.0

data_CoNiIrAu
_symmetry_space_group_name_H-M   Fm-3m
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   225
_chemical_formula_structural   CoNiIrAu
_chemical_formula_sum   'Co4 Ni4 Ir4 Au4'
_cell_volume   216.06
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
  49  'x+1/2, y+1/2, z'
  50  '-x+1/2, -y+1/2, -z'
  51  '-y+1/2, x+1/2, z'
  52  'y+1/2, -x+1/2, -z'
  53  '-x+1/2, -y+1/2, z'
  54  'x+1/2, y+1/2, -z'
  55  'y+1/2, -x+1/2, z'
  56  '-y+1/2, x+1/2, -z'
  57  'x+1/2, -y+1/2, -z'
  58  '-x+1/2, y+1/2, z'
  59  '-y+1/2, -x+1/2, -z'
  60  'y+1/2, x+1/2, z'
  61  '-x+1/2, y+1/2, -z'
  62  'x+1/2, -y+1/2, z'
  63  'y+1/2, x+1/2, -z'
  64  '-y+1/2, -x+1/2, z'
  65  'z+1/2, x+1/2, y'
  66  '-z+1/2, -x+1/2, -y'
  67  'z+1/2, -y+1/2, x'
  68  '-z+1/2, y+1/2, -x'
  69  'z+1/2, -x+1/2, -y'
  70  '-z+1/2, x+1/2, y'
  71  'z+1/2, y+1/2, -x'
  72  '-z+1/2, -y+1/2, x'
  73  '-z+1/2, x+1/2, -y'
  74  'z+1/2, -x+1/2, y'
  75  '-z+1/2, -y+1/2, -x'
  76  'z+1/2, y+1/2, x'
  77  '-z+1/2, -x+1/2, y'
  78  'z+1/2, x+1/2, -y'
  79  '-z+1/2, y+1/2, x'
  80  'z+1/2, -y+1/2, -x'
  81  'y+1/2, z+1/2, x'
  82  '-y+1/2, -z+1/2, -x'
  83  'x+1/2, z+1/2, -y'
  84  '-x+1/2, -z+1/2, y'
  85  '-y+1/2, z+1/2, -x'
  86  'y+1/2, -z+1/2, x'
  87  '-x+1/2, z+1/2, y'
  88  'x+1/2, -z+1/2, -y'
  89  '-y+1/2, -z+1/2, x'
  90  'y+1/2, z+1/2, -x'
  91  '-x+1/2, -z+1/2, -y'
  92  'x+1/2, z+1/2, y'
  93  'y+1/2, -z+1/2, -x'
  94  '-y+1/2, z+1/2, x'
  95  'x+1/2, -z+1/2, y'
  96  '-x+1/2, z+1/2, -y'
  97  'x+1/2, y, z+1/2'
  98  '-x+1/2, -y, -z+1/2'
  99  '-y+1/2, x, z+1/2'
  100  'y+1/2, -x, -z+1/2'
  101  '-x+1/2, -y, z+1/2'
  102  'x+1/2, y, -z+1/2'
  103  'y+1/2, -x, z+1/2'
  104  '-y+1/2, x, -z+1/2'
  105  'x+1/2, -y, -z+1/2'
  106  '-x+1/2, y, z+1/2'
  107  '-y+1/2, -x, -z+1/2'
  108  'y+1/2, x, z+1/2'
  109  '-x+1/2, y, -z+1/2'
  110  'x+1/2, -y, z+1/2'
  111  'y+1/2, x, -z+1/2'
  112  '-y+1/2, -x, z+1/2'
  113  'z+1/2, x, y+1/2'
  114  '-z+1/2, -x, -y+1/2'
  115  'z+1/2, -y, x+1/2'
  116  '-z+1/2, y, -x+1/2'
  117  'z+1/2, -x, -y+1/2'
  118  '-z+1/2, x, y+1/2'
  119  'z+1/2, y, -x+1/2'
  120  '-z+1/2, -y, x+1/2'
  121  '-z+1/2, x, -y+1/2'
  122  'z+1/2, -x, y+1/2'
  123  '-z+1/2, -y, -x+1/2'
  124  'z+1/2, y, x+1/2'
  125  '-z+1/2, -x, y+1/2'
  126  'z+1/2, x, -y+1/2'
  127  '-z+1/2, y, x+1/2'
  128  'z+1/2, -y, -x+1/2'
  129  'y+1/2, z, x+1/2'
  130  '-y+1/2, -z, -x+1/2'
  131  'x+1/2, z, -y+1/2'
  132  '-x+1/2, -z, y+1/2'
  133  '-y+1/2, z, -x+1/2'
  134  'y+1/2, -z, x+1/2'
  135  '-x+1/2, z, y+1/2'
  136  'x+1/2, -z, -y+1/2'
  137  '-y+1/2, -z, x+1/2'
  138  'y+1/2, z, -x+1/2'
  139  '-x+1/2, -z, -y+1/2'
  140  'x+1/2, z, y+1/2'
  141  'y+1/2, -z, -x+1/2'
  142  '-y+1/2, z, x+1/2'
  143  'x+1/2, -z, y+1/2'
  144  '-x+1/2, z, -y+1/2'
  145  'x, y+1/2, z+1/2'
  146  '-x, -y+1/2, -z+1/2'
  147  '-y, x+1/2, z+1/2'
  148  'y, -x+1/2, -z+1/2'
  149  '-x, -y+1/2, z+1/2'
  150  'x, y+1/2, -z+1/2'
  151  'y, -x+1/2, z+1/2'
  152  '-y, x+1/2, -z+1/2'
  153  'x, -y+1/2, -z+1/2'
  154  '-x, y+1/2, z+1/2'
  155  '-y, -x+1/2, -z+1/2'
  156  'y, x+1/2, z+1/2'
  157  '-x, y+1/2, -z+1/2'
  158  'x, -y+1/2, z+1/2'
  159  'y, x+1/2, -z+1/2'
  160  '-y, -x+1/2, z+1/2'
  161  'z, x+1/2, y+1/2'
  162  '-z, -x+1/2, -y+1/2'
  163  'z, -y+1/2, x+1/2'
  164  '-z, y+1/2, -x+1/2'
  165  'z, -x+1/2, -y+1/2'
  166  '-z, x+1/2, y+1/2'
  167  'z, y+1/2, -x+1/2'
  168  '-z, -y+1/2, x+1/2'
  169  '-z, x+1/2, -y+1/2'
  170  'z, -x+1/2, y+1/2'
  171  '-z, -y+1/2, -x+1/2'
  172  'z, y+1/2, x+1/2'
  173  '-z, -x+1/2, y+1/2'
  174  'z, x+1/2, -y+1/2'
  175  '-z, y+1/2, x+1/2'
  176  'z, -y+1/2, -x+1/2'
  177  'y, z+1/2, x+1/2'
  178  '-y, -z+1/2, -x+1/2'
  179  'x, z+1/2, -y+1/2'
  180  '-x, -z+1/2, y+1/2'
  181  '-y, z+1/2, -x+1/2'
  182  'y, -z+1/2, x+1/2'
  183  '-x, z+1/2, y+1/2'
  184  'x, -z+1/2, -y+1/2'
  185  '-y, -z+1/2, x+1/2'
  186  'y, z+1/2, -x+1/2'
  187  '-x, -z+1/2, -y+1/2'
  188  'x, z+1/2, y+1/2'
  189  'y, -z+1/2, -x+1/2'
  190  '-y, z+1/2, x+1/2'
  191  'x, -z+1/2, y+1/2'
  192  '-x, z+1/2, -y+1/2'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Co  Co0  4  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.0  0.0  0.0  1.0
  Ir  Ir2  4  0.0  0.0  0.5  1.0
  Au  Au3  4  0.0  0.0  0.5  1.0

Co Ni Ir Au 0 1 o o o 2 3 o o o 
IrCoNiAu is alpha Po-derived structured and crystallizes in the cubic Fm-3m space group. There are four inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to five Co(1,1,1) and three Ni(1,1) atoms to form IrCo5Ni3 octahedra that share corners with five Au(1,1)Co4Ni6 octahedra; corners with seven Ir(1,1)Co5Ni3 octahedra; edges with seven Ir(1,1,1)Co6Ni3 octahedra; edges with eleven Au(1,1,1,1)Co4Ni6 octahedra; faces with two Au(1,1)Co4Ni6 octahedra; and faces with four Ir(1,1)Co6Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ir(1)-Co(1,1,1) bond lengths are 3.00 Å. All Ir(1)-Ni(1,1) bond lengths are 3.00 Å. In the second Ir site, Ir(1) is bonded to six Co(1,1,1) and three Ni(1,1) atoms to form IrCo6Ni3 octahedra that share corners with four equivalent Ir(1)Co6Ni3 octahedra; corners with seven Au(1,1)Co4Ni5 octahedra; edges with five Au(1,1,1)Co4Ni6 octahedra; edges with twelve Ir(1,1,1,1)Co5Ni3 octahedra; faces with two equivalent Ir(1)Co5Ni3 octahedra; and faces with seven Au(1,1,1)Co4Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ir(1)-Co(1,1,1) bond lengths are 3.00 Å. All Ir(1)-Ni(1,1) bond lengths are 3.00 Å. In the third Ir site, Ir(1) is bonded to five Co(1,1,1) and four Ni(1,1,1) atoms to form IrCo5Ni4 octahedra that share corners with three Ir(1,1)Co5Ni3 octahedra; corners with six Au(1,1)Co4Ni5 octahedra; edges with six Au(1,1,1,1)Co4Ni6 octahedra; edges with ten Ir(1,1,1,1)Co5Ni3 octahedra; faces with three equivalent Ir(1)Co5Ni5 octahedra; and faces with seven Au(1,1,1,1)Co4Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ir(1)-Co(1,1,1) bond lengths are 3.00 Å. All Ir(1)-Ni(1,1,1) bond lengths are 3.00 Å. In the fourth Ir site, Ir(1) is bonded to five Co(1,1,1) and five Ni(1,1,1) atoms to form IrCo5Ni5 octahedra that share corners with seven Au(1,1)Co5Ni4 octahedra; edges with five Au(1,1)Co4Ni5 octahedra; edges with eleven Ir(1,1,1,1)Co5Ni3 octahedra; faces with five Ir(1,1)Co5Ni3 octahedra; and faces with seven Au(1,1,1)Co4Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ir(1)-Co(1,1,1) bond lengths are 3.00 Å. All Ir(1)-Ni(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to six Ir(1,1,1) and five Au(1,1,1) atoms to form CoIr6Au5 octahedra that share corners with three Co(1,1)Ir6Au5 octahedra; corners with five equivalent Ni(1)Ir4Au3 octahedra; edges with five Ni(1,1,1)Ir5Au6 octahedra; edges with ten Co(1,1,1,1)Ir6Au5 octahedra; faces with five Co(1,1,1)Ir5Au6 octahedra; and faces with nine Ni(1,1,1,1)Ir5Au6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Au(1,1,1) bond lengths are 3.00 Å. In the second Co site, Co(1) is bonded to five Ir(1,1,1) and six Au(1,1,1) atoms to form CoIr5Au6 octahedra that share corners with two equivalent Co(1)Ir5Au6 octahedra; corners with five equivalent Ni(1)Ir2Au5 octahedra; edges with seven Ni(1,1,1)Ir4Au5 octahedra; edges with ten Co(1,1,1,1)Ir6Au5 octahedra; faces with six Co(1,1,1)Ir6Au5 octahedra; and faces with seven Ni(1,1,1)Ir5Au6 octahedra. The corner-sharing octahedra are not tilted. All Co(1)-Au(1,1,1) bond lengths are 3.00 Å. In the third Co site, Co(1) is bonded to four Ir(1,1,1) and three Au(1,1) atoms to form CoIr4Au3 octahedra that share corners with six Co(1,1,1)Ir6Au5 octahedra; corners with thirteen Ni(1,1,1,1)Ir5Au6 octahedra; edges with four Ni(1,1,1)Ir5Au6 octahedra; edges with seven Co(1,1,1)Ir6Au5 octahedra;  a faceface with one Ni(1)Ir5Au6 octahedra; and faces with three Co(1,1)Ir6Au5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Au(1,1) bond lengths are 3.00 Å. In the fourth Co site, Co(1) is bonded to six Ir(1,1,1) and three Au(1,1) atoms to form CoIr6Au3 octahedra that share corners with five Co(1,1)Ir4Au3 octahedra; corners with eight Ni(1,1,1)Ir4Au5 octahedra; edges with five Ni(1,1,1)Ir4Au5 octahedra; edges with nine Co(1,1,1,1)Ir6Au5 octahedra; faces with four Co(1,1)Ir6Au5 octahedra; and faces with five Ni(1,1)Ir5Au6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Co(1)-Au(1,1) bond lengths are 3.00 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to five Ir(1,1,1) and six Au(1,1,1) atoms to form NiIr5Au6 octahedra that share corners with four Ni(1,1,1)Ir5Au6 octahedra; corners with five equivalent Co(1)Ir4Au3 octahedra; edges with two Co(1,1)Ir6Au5 octahedra; edges with eleven Ni(1,1,1,1)Ir5Au6 octahedra; faces with three Ni(1,1)Ir4Au5 octahedra; and faces with twelve Co(1,1,1,1)Ir6Au5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ni(1)-Au(1,1,1) bond lengths are 3.00 Å. In the second Ni site, Ni(1) is bonded to four Ir(1,1,1) and five Au(1,1,1) atoms to form NiIr4Au5 octahedra that share corners with two equivalent Ni(1)Ir4Au5 octahedra; corners with seven Co(1,1)Ir4Au3 octahedra; edges with four Co(1,1,1)Ir5Au6 octahedra; edges with twelve Ni(1,1,1,1)Ir5Au6 octahedra; faces with two equivalent Ni(1)Ir5Au6 octahedra; and faces with seven Co(1,1,1)Ir6Au5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ni(1)-Au(1,1,1) bond lengths are 3.00 Å. In the third Ni site, Ni(1) is bonded to four Ir(1,1) and three Au(1,1) atoms to form NiIr4Au3 octahedra that share corners with eight Ni(1,1,1)Ir5Au6 octahedra; corners with nine Co(1,1,1)Ir6Au5 octahedra; edges with eight Ni(1,1,1)Ir5Au6 octahedra; edges with nine Co(1,1,1,1)Ir6Au5 octahedra;  a faceface with one Co(1)Ir6Au5 octahedra; and  a faceface with one Ni(1)Ir5Au6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ni(1)-Au(1,1) bond lengths are 3.00 Å. In the fourth Ni site, Ni(1) is bonded to two Ir(1,1) and five Au(1,1,1) atoms to form NiIr2Au5 octahedra that share corners with six Ni(1,1,1)Ir5Au6 octahedra; corners with ten Co(1,1,1)Ir5Au6 octahedra; edges with six Co(1,1,1)Ir6Au5 octahedra; edges with nine Ni(1,1,1)Ir5Au6 octahedra; and faces with two Co(1,1)Ir6Au5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. All Ni(1)-Au(1,1,1) bond lengths are 3.00 Å. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded to four Co(1,1,1) and six Ni(1,1,1) atoms to form AuCo4Ni6 octahedra that share corners with three equivalent Ir(1)Co5Ni3 octahedra; corners with five Au(1,1)Co4Ni6 octahedra; edges with five Ir(1,1,1)Co5Ni3 octahedra; edges with ten Au(1,1,1,1)Co4Ni6 octahedra; faces with three Au(1,1)Co4Ni5 octahedra; and faces with ten Ir(1,1,1,1)Co5Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the second Au site, Au(1) is bonded to four Co(1,1) and five Ni(1,1,1) atoms to form AuCo4Ni5 octahedra that share corners with five Au(1,1)Co4Ni6 octahedra; corners with six Ir(1,1)Co6Ni3 octahedra; edges with eight Ir(1,1,1,1)Co5Ni3 octahedra; edges with eight Au(1,1,1,1)Co4Ni6 octahedra; faces with five Ir(1,1,1,1)Co5Ni3 octahedra; and faces with five Au(1,1,1)Co4Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the third Au site, Au(1) is bonded to five Co(1,1,1) and four Ni(1,1,1) atoms to form AuCo5Ni4 octahedra that share corners with three Au(1,1)Co5Ni4 octahedra; corners with six Ir(1,1)Co5Ni4 octahedra; edges with eight Ir(1,1,1)Co5Ni3 octahedra; edges with eight Au(1,1,1,1)Co4Ni6 octahedra; faces with five Ir(1,1)Co6Ni3 octahedra; and faces with five Au(1,1,1)Co4Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-90°. In the fourth Au site, Au(1) is bonded to four Co(1,1) and four Ni(1,1) atoms to form AuCo4Ni4 octahedra that share corners with five Au(1,1)Co5Ni4 octahedra; corners with ten Ir(1,1,1)Co5Ni3 octahedra; edges with six Ir(1,1,1)Co5Ni3 octahedra; edges with ten Au(1,1,1,1)Co4Ni6 octahedra; faces with three Ir(1,1)Co5Ni4 octahedra; and faces with three Au(1,1)Co4Ni5 octahedra. The corner-sharing octahedral tilt angles range from 0-90°.