data_Ta3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   160.59
_cell_angle_beta   152.49
_cell_angle_gamma   33.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo5
_chemical_formula_sum   'Ta3 Mo5'
_cell_volume   132.99
_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  0.61  0.0  0.11  1.0
  Ta  Ta6  1  0.61  0.0  0.62  1.0
  Ta  Ta7  1  0.0  0.0  0.23  1.0
  Mo  Mo0  1  0.0  0.27  0.07  1.0
  Mo  Mo1  1  0.0  0.0  0.98  1.0
  Mo  Mo2  1  0.0  0.27  0.56  1.0
  Mo  Mo3  1  0.0  0.0  0.45  1.0
  Mo  Mo4  1  0.0  0.0  0.84  1.0

data_Ta3Mo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.54
_cell_length_c   9.54
_cell_angle_alpha   103.76
_cell_angle_beta   99.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo5
_chemical_formula_sum   'Ta3 Mo5'
_cell_volume   132.99
_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  0.5  0.89  0.5  1.0
  Ta  Ta1  1  0.77  0.77  0.77  1.0
  Ta  Ta2  1  0.98  0.38  0.98  1.0
  Mo  Mo3  1  0.02  0.02  0.02  1.0
  Mo  Mo4  1  0.16  0.16  0.16  1.0
  Mo  Mo5  1  0.44  0.71  0.71  1.0
  Mo  Mo6  1  0.55  0.55  0.55  1.0
  Mo  Mo7  1  0.93  0.2  0.2  1.0

Ta Ta Ta Mo Mo Mo Mo Mo