data_TaMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo3
_chemical_formula_sum   'Ta1 Mo3'
_cell_volume   65.4
_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  0.49  1.0
  Mo  Mo0  1  0.6  0.0  0.19  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.6  0.0  0.79  1.0

data_TaMo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo3
_chemical_formula_sum   'Ta1 Mo3'
_cell_volume   65.4
_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  0.0  0.0  0.49  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.6  0.0  0.19  1.0
  Mo  Mo3  1  0.6  0.0  0.79  1.0

Ta Mo Mo Mo
Ta Mo Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 1 o o o 0 3 - o o 0 3 o o o 1 2 o o o 1 2 + o o 2 3 - o - 2 3 o o - 3 3 o + o 3 3 + o o 
TaMo3 crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ta(1), two equivalent Mo(1), and two equivalent Mo(3) atoms. All Ta(1)-Ta(1) bond lengths are 2.78 Å. There is one shorter (2.90 Å) and one longer (3.15 Å) Ta(1)-Mo(1) bond length. There is one shorter (2.90 Å) and one longer (3.15 Å) Ta(1)-Mo(3) bond length. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and two equivalent Mo(2) atoms. There is one shorter (2.06 Å) and one longer (2.40 Å) Mo(1)-Mo(2) bond length. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(1), two equivalent Mo(2), and two equivalent Mo(3) atoms. Both Mo(2)-Mo(2) bond lengths are 2.78 Å. There is one shorter (2.20 Å) and one longer (2.52 Å) Mo(2)-Mo(3) bond length. In the third Mo site, Mo(3) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Mo(2), and four equivalent Mo(3) atoms. All Mo(3)-Mo(3) bond lengths are 2.78 Å.