data_TaMo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo5
_chemical_formula_sum   'Ta1 Mo5'
_cell_volume   97.08
_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  Ta5  1  0.59  0.0  0.25  1.0
  Mo  Mo0  1  0.59  0.26  0.0  1.0
  Mo  Mo1  1  0.59  0.74  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.59  0.53  0.25  1.0
  Mo  Mo4  1  0.59  0.47  0.25  1.0

data_TaMo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.51
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo5
_chemical_formula_sum   'Ta1 Mo5'
_cell_volume   97.08
_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  0.75  0.41  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.26  -0.0  0.67  1.0
  Mo  Mo3  1  0.47  0.75  0.88  1.0
  Mo  Mo4  1  0.53  0.75  0.93  1.0
  Mo  Mo5  1  0.74  0.0  0.15  1.0

Ta Mo Mo Mo Mo Mo
TaMo5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaMo5 cluster. Ta(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. The Ta(1)-Mo(1) bond length is 2.13 Å. The Ta(1)-Mo(2) bond length is 2.13 Å. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Mo(5) atom. The Mo(1)-Mo(5) bond length is 1.88 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Ta(1) and one Mo(3) atom. The Mo(2)-Mo(3) bond length is 1.47 Å. In the third Mo site, Mo(3) is bonded in a 1-coordinate geometry to one Mo(2) atom. In the fourth Mo site, Mo(4) is bonded in a single-bond geometry to one Mo(5) atom. The Mo(4)-Mo(5) bond length is 0.37 Å. In the fifth Mo site, Mo(5) is bonded in a single-bond geometry to one Mo(1) and one Mo(4) atom.