data_BaCoNiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoNiAg
_chemical_formula_sum   'Ba1 Co1 Ni1 Ag1'
_cell_volume   83.28
_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
  Ba  Ba1  1  0.47  0.47  0.47  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.73  0.73  0.73  1.0
  Ag  Ag0  1  0.2  0.2  0.2  1.0

data_BaCoNiAg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   12.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaCoNiAg
_chemical_formula_sum   'Ba3 Co3 Ni3 Ag3'
_cell_volume   249.83
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ba  Ba0  3  0.0  0.0  0.53  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Ni  Ni2  3  0.0  0.0  0.27  1.0
  Ag  Ag3  3  0.0  0.0  0.8  1.0

Ba Co Ni Ag
Ba Co Ni Ag 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 - - - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o + + 2 3 + o + 2 3 + + o 
BaCoNiAg crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent Co(1), four equivalent Ni(1), and four equivalent Ag(1) atoms. All Ba(1)-Co(1) bond lengths are 3.25 Å. There are three shorter (2.94 Å) and one longer (3.21 Å) Ba(1)-Ni(1) bond length. There are three shorter (2.94 Å) and one longer (3.21 Å) Ba(1)-Ag(1) bond length. Co(1) is bonded in a 1-coordinate geometry to three equivalent Ba(1) and one Ag(1) atom. The Co(1)-Ag(1) bond length is 2.39 Å. Ni(1) is bonded in a 4-coordinate geometry to four equivalent Ba(1) atoms. Ag(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Co(1) atom.