data_TaBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   20.67
_cell_angle_beta   20.67
_cell_angle_gamma   20.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiMo2
_chemical_formula_sum   'Ta1 Bi1 Mo2'
_cell_volume   77.8
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.11  1.0
  Mo  Mo1  1  0.0  0.0  0.47  1.0
  Mo  Mo2  1  0.0  0.0  0.75  1.0

data_TaBiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   3.21
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBiMo2
_chemical_formula_sum   'Ta2 Bi2 Mo4'
_cell_volume   155.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.89  1.0
  Mo  Mo2  2  0.0  0.0  0.25  1.0
  Mo  Mo3  2  0.0  0.0  0.53  1.0

Ta Bi Mo Mo
Ta Bi Mo Mo 0 1 o o o 0 3 o o - 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 
TaMo2Bi crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Bi(1) atom. The Ta(1)-Mo(2) bond length is 2.25 Å. The Ta(1)-Bi(1) bond length is 0.98 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 8-coordinate geometry to one Mo(2), six equivalent Mo(1), and one Bi(1) atom. The Mo(1)-Mo(2) bond length is 2.47 Å. All Mo(1)-Mo(1) bond lengths are 3.21 Å. The Mo(1)-Bi(1) bond length is 3.23 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Ta(1) and one Mo(1) atom. Bi(1) is bonded in a single-bond geometry to one Ta(1) and one Mo(1) atom.