data_TaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2
_chemical_formula_sum   'Ta2 Mo4'
_cell_volume   99.42
_cell_formula_units_Z   2
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  Ta4  1  0.6  0.0  0.99  1.0
  Ta  Ta5  1  0.0  0.6  0.73  1.0
  Mo  Mo0  1  0.6  0.0  0.36  1.0
  Mo  Mo1  1  0.0  0.6  0.91  1.0
  Mo  Mo2  1  0.6  0.0  0.8  1.0
  Mo  Mo3  1  0.0  0.6  0.35  1.0

data_TaMo2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   9.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TaMo2
_chemical_formula_sum   'Ta4 Mo8'
_cell_volume   198.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.2  0.0  0.37  1.0
  Mo  Mo1  4  0.2  0.0  0.55  1.0
  Mo  Mo2  4  0.2  0.0  0.99  1.0

Ta Ta Mo Mo Mo Mo
TaMo2 crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 2-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. The Ta(1)-Mo(1) bond length is 3.68 Å. There is one shorter (1.77 Å) and one longer (1.95 Å) Ta(1)-Mo(2) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Ta(1) and four equivalent Mo(1) atoms. There are a spread of Mo(1)-Mo(1) bond distances ranging from 1.82-2.72 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms.