data_Ta5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   143.64
_cell_angle_beta   143.64
_cell_angle_gamma   52.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Mo3
_chemical_formula_sum   'Ta5 Mo3'
_cell_volume   137.69
_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  0.29  0.32  1.0
  Ta  Ta4  1  0.0  0.0  0.57  1.0
  Ta  Ta5  1  0.0  0.0  0.59  1.0
  Ta  Ta6  1  0.29  0.0  0.32  1.0
  Ta  Ta7  1  0.0  0.0  0.18  1.0
  Mo  Mo0  1  0.0  0.29  0.56  1.0
  Mo  Mo1  1  0.0  0.0  0.97  1.0
  Mo  Mo2  1  0.29  0.0  0.56  1.0

data_Ta5Mo3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   116.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta5Mo3
_chemical_formula_sum   'Ta10 Mo6'
_cell_volume   275.38
_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  4  0.14  0.14  0.97  1.0
  Ta  Ta1  2  0.0  0.0  0.41  1.0
  Ta  Ta2  2  0.0  0.0  0.43  1.0
  Ta  Ta3  2  0.0  0.0  0.82  1.0
  Mo  Mo4  4  0.14  0.14  0.73  1.0
  Mo  Mo5  2  0.0  0.0  0.03  1.0

Ta Ta Ta Ta Ta Mo Mo Mo
Ta5Mo3 crystallizes in the monoclinic Cm space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 3-coordinate geometry to one Ta(4), one Mo(1), and two equivalent Mo(2) atoms. The Ta(1)-Ta(4) bond length is 1.44 Å. The Ta(1)-Mo(1) bond length is 1.77 Å. There is one shorter (1.52 Å) and one longer (3.15 Å) Ta(1)-Mo(2) bond length. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(3) and two equivalent Mo(1) atoms. The Ta(2)-Ta(3) bond length is 0.15 Å. Both Ta(2)-Mo(1) bond lengths are 2.18 Å. In the third Ta site, Ta(3) is bonded in a linear geometry to one Ta(2) and one Mo(2) atom. The Ta(3)-Mo(2) bond length is 2.76 Å. In the fourth Ta site, Ta(4) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Mo(2), and two equivalent Mo(1) atoms. The Ta(4)-Mo(2) bond length is 1.58 Å. Both Ta(4)-Mo(1) bond lengths are 1.64 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Ta(4) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one Ta(3), one Ta(4), and four equivalent Ta(1) atoms.