data_Ta5Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   18.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Mo3
_chemical_formula_sum   'Ta5 Mo3'
_cell_volume   138.15
_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  0.62  0.0  0.24  1.0
  Ta  Ta4  1  0.62  0.0  0.88  1.0
  Ta  Ta5  1  0.62  0.0  0.44  1.0
  Ta  Ta6  1  0.0  0.0  0.06  1.0
  Ta  Ta7  1  0.62  0.0  0.68  1.0
  Mo  Mo0  1  0.0  0.0  0.47  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.65  1.0

data_Ta5Mo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   18.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Mo3
_chemical_formula_sum   'Ta5 Mo3'
_cell_volume   138.15
_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  0.0  0.06  1.0
  Ta  Ta1  1  0.62  0.0  0.24  1.0
  Ta  Ta2  1  0.62  0.0  0.44  1.0
  Ta  Ta3  1  0.62  0.0  0.68  1.0
  Ta  Ta4  1  0.62  0.0  0.88  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0
  Mo  Mo6  1  0.0  0.0  0.47  1.0
  Mo  Mo7  1  0.0  0.0  0.65  1.0

Ta Ta Ta Ta Ta Mo Mo Mo
Ta Ta Ta Ta Ta Mo Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 3 + o o 1 1 + + o 1 1 o + o 1 1 + o o 1 6 o o + 1 6 + o + 2 5 + o o 3 6 o o o 4 7 + o o 