data_Ta5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Bi3
_chemical_formula_sum   'Ta10 Bi6'
_cell_volume   380.01
_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  0.41  0.54  0.83  1.0
  Ta  Ta7  1  0.0  0.09  0.0  1.0
  Ta  Ta8  1  0.0  0.09  0.83  1.0
  Ta  Ta9  1  0.41  0.54  0.0  1.0
  Ta  Ta10  1  0.41  0.21  0.24  1.0
  Ta  Ta11  1  0.18  0.42  0.41  1.0
  Ta  Ta12  1  0.82  0.42  0.24  1.0
  Ta  Ta13  1  0.17  0.0  0.24  1.0
  Ta  Ta14  1  0.64  0.0  0.41  1.0
  Ta  Ta15  1  0.59  0.21  0.41  1.0
  Bi  Bi0  1  0.25  0.03  0.24  1.0
  Bi  Bi1  1  0.34  0.61  0.41  1.0
  Bi  Bi2  1  0.66  0.61  0.24  1.0
  Bi  Bi3  1  0.49  0.0  0.24  1.0
  Bi  Bi4  1  0.32  0.0  0.41  1.0
  Bi  Bi5  1  0.75  0.03  0.41  1.0

data_Ta5Bi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Bi3
_chemical_formula_sum   'Ta10 Bi6'
_cell_volume   380.01
_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  Ta0  1  0.0  0.0  0.09  1.0
  Ta  Ta1  1  0.0  0.41  0.54  1.0
  Ta  Ta2  1  0.24  0.17  0.0  1.0
  Ta  Ta3  1  0.24  0.41  0.21  1.0
  Ta  Ta4  1  0.24  0.82  0.42  1.0
  Ta  Ta5  1  0.41  0.18  0.42  1.0
  Ta  Ta6  1  0.41  0.59  0.21  1.0
  Ta  Ta7  1  0.41  0.64  0.0  1.0
  Ta  Ta8  1  0.83  0.0  0.09  1.0
  Ta  Ta9  1  0.83  0.41  0.54  1.0
  Bi  Bi10  1  0.24  0.25  0.03  1.0
  Bi  Bi11  1  0.24  0.49  0.0  1.0
  Bi  Bi12  1  0.24  0.66  0.61  1.0
  Bi  Bi13  1  0.41  0.32  0.0  1.0
  Bi  Bi14  1  0.41  0.34  0.61  1.0
  Bi  Bi15  1  0.41  0.75  0.03  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Bi Bi Bi Bi Bi Bi