data_TaMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   6.4
_cell_angle_alpha   107.87
_cell_angle_beta   107.87
_cell_angle_gamma   50.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo3
_chemical_formula_sum   'Ta2 Mo6'
_cell_volume   130.85
_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  Ta6  1  0.28  0.0  0.63  1.0
  Ta  Ta7  1  0.18  0.0  0.39  1.0
  Mo  Mo0  1  0.51  0.0  0.16  1.0
  Mo  Mo1  1  0.86  0.0  0.92  1.0
  Mo  Mo2  1  0.19  0.0  0.65  1.0
  Mo  Mo3  1  0.28  0.0  0.36  1.0
  Mo  Mo4  1  0.6  0.0  0.1  1.0
  Mo  Mo5  1  0.95  0.0  0.86  1.0

data_TaMo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.51
_cell_length_b   5.32
_cell_length_c   6.4
_cell_angle_alpha   107.87
_cell_angle_beta   90.0
_cell_angle_gamma   115.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaMo3
_chemical_formula_sum   'Ta2 Mo6'
_cell_volume   130.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.45  0.88  1.0
  Mo  Mo1  2  0.0  0.13  0.41  1.0
  Mo  Mo2  2  0.0  0.22  0.35  1.0
  Mo  Mo3  2  0.0  0.45  0.14  1.0

Ta Ta Mo Mo Mo Mo Mo Mo