data_TaBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   144.08
_cell_angle_beta   131.75
_cell_angle_gamma   61.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiMo2
_chemical_formula_sum   'Ta1 Bi1 Mo2'
_cell_volume   72.95
_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  0.84  1.0
  Bi  Bi0  1  0.7  0.0  0.34  1.0
  Mo  Mo1  1  0.0  0.0  0.41  1.0
  Mo  Mo2  1  0.0  0.26  0.38  1.0

data_TaBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.51
_cell_length_c   5.52
_cell_angle_alpha   114.13
_cell_angle_beta   107.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiMo2
_chemical_formula_sum   'Ta1 Bi1 Mo2'
_cell_volume   72.95
_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  Ta0  1  0.16  0.16  0.16  1.0
  Bi  Bi1  1  0.36  0.66  0.36  1.0
  Mo  Mo2  1  0.59  0.59  0.59  1.0
  Mo  Mo3  1  0.62  0.87  0.87  1.0

Ta Bi Mo Mo
Ta Bi Mo Mo 0 1 - o o 0 3 o o + 0 2 o o o 1 2 + o o 2 3 o o o 
TaMo2Bi crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 5-coordinate geometry to one Mo(1), two equivalent Mo(2), and two equivalent Bi(1) atoms. The Ta(1)-Mo(1) bond length is 2.36 Å. There is one shorter (2.03 Å) and one longer (2.54 Å) Ta(1)-Mo(2) bond length. There is one shorter (2.04 Å) and one longer (2.90 Å) Ta(1)-Bi(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Ta(1), one Mo(2), and one Bi(1) atom. The Mo(1)-Mo(2) bond length is 1.55 Å. The Mo(1)-Bi(1) bond length is 1.42 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Mo(1) atom. Bi(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Mo(1) atom.