data_Ta3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.34
_cell_length_c   5.35
_cell_angle_alpha   95.75
_cell_angle_beta   117.43
_cell_angle_gamma   94.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo5
_chemical_formula_sum   'Ta3 Mo5'
_cell_volume   132.97
_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  0.93  0.28  0.56  1.0
  Ta  Ta6  1  0.43  0.63  0.34  1.0
  Ta  Ta7  1  0.5  0.31  0.12  1.0
  Mo  Mo0  1  0.47  0.46  0.2  1.0
  Mo  Mo1  1  1.0  0.85  0.94  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.43  0.73  0.75  1.0
  Mo  Mo4  1  0.95  0.13  0.49  1.0

data_Ta3Mo5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.34
_cell_length_c   5.35
_cell_angle_alpha   95.75
_cell_angle_beta   117.43
_cell_angle_gamma   94.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Mo5
_chemical_formula_sum   'Ta3 Mo5'
_cell_volume   132.97
_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  0.43  0.63  0.34  1.0
  Ta  Ta1  1  0.5  0.31  0.12  1.0
  Ta  Ta2  1  0.93  0.28  0.56  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Mo  Mo4  1  0.43  0.73  0.75  1.0
  Mo  Mo5  1  0.47  0.46  0.2  1.0
  Mo  Mo6  1  0.95  0.13  0.49  1.0
  Mo  Mo7  1  1.0  0.85  0.94  1.0

Ta Ta Ta Mo Mo Mo Mo Mo