data_YInBiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInBiMo
_chemical_formula_sum   'Y1 In1 Bi1 Mo1'
_cell_volume   98.67
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.5  0.5  0.5  1.0
  Bi  Bi0  1  0.67  0.67  0.67  1.0
  Mo  Mo2  1  0.83  0.83  0.83  1.0

data_YInBiMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YInBiMo
_chemical_formula_sum   'Y3 In3 Bi3 Mo3'
_cell_volume   296.01
_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  0.0  1.0
  In  In1  3  0.0  0.0  0.5  1.0
  Bi  Bi2  3  0.0  0.0  0.33  1.0
  Mo  Mo3  3  0.0  0.0  0.17  1.0

Y In Bi Mo
Y In Bi Mo 0 3 - - - 1 2 o o o 2 3 o o o 
YMoInBi crystallizes in the trigonal R3m space group. Y(1) is bonded in a distorted single-bond geometry to one Mo(1) and three equivalent Bi(1) atoms. The Y(1)-Mo(1) bond length is 2.11 Å. All Y(1)-Bi(1) bond lengths are 2.99 Å. Mo(1) is bonded in a 2-coordinate geometry to one Y(1) and one Bi(1) atom. The Mo(1)-Bi(1) bond length is 2.11 Å. In(1) is bonded in a 1-coordinate geometry to one Bi(1) atom. The In(1)-Bi(1) bond length is 2.11 Å. Bi(1) is bonded to three equivalent Y(1), one Mo(1), and one In(1) atom to form corner-sharing BiY3InMo trigonal bipyramids.