data_YTiCoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTiCoNi
_chemical_formula_sum   'Y1 Ti1 Co1 Ni1'
_cell_volume   64.72
_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
  Y  Y3  1  0.19  0.19  0.19  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.59  0.59  0.59  1.0
  Ni  Ni1  1  0.78  0.78  0.78  1.0

data_YTiCoNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YTiCoNi
_chemical_formula_sum   'Y3 Ti3 Co3 Ni3'
_cell_volume   194.15
_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
  Y  Y0  3  0.0  0.0  0.81  1.0
  Ti  Ti1  3  0.0  0.0  0.0  1.0
  Co  Co2  3  0.0  0.0  0.41  1.0
  Ni  Ni3  3  0.0  0.0  0.22  1.0

Y Ti Co Ni
Y Ti Co Ni 0 1 o o o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 - - o 1 2 - o - 1 2 o - - 2 3 o o o 
YTiCoNi crystallizes in the trigonal R3m space group. Y(1) is bonded in a 7-coordinate geometry to one Ti(1), three equivalent Co(1), and three equivalent Ni(1) atoms. The Y(1)-Ti(1) bond length is 2.06 Å. All Y(1)-Co(1) bond lengths are 2.72 Å. All Y(1)-Ni(1) bond lengths are 2.72 Å. Ti(1) is bonded in a 2-coordinate geometry to one Y(1), three equivalent Co(1), and one Ni(1) atom. All Ti(1)-Co(1) bond lengths are 2.72 Å. The Ti(1)-Ni(1) bond length is 2.43 Å. Co(1) is bonded in a 7-coordinate geometry to three equivalent Y(1), three equivalent Ti(1), and one Ni(1) atom. The Co(1)-Ni(1) bond length is 2.06 Å. Ni(1) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Ti(1), and one Co(1) atom.