data_TaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta4 Bi4'
_cell_volume   191.11
_cell_formula_units_Z   4
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  Ta4  1  0.56  0.48  0.69  1.0
  Ta  Ta5  1  0.0  0.96  0.89  1.0
  Ta  Ta6  1  0.0  0.96  0.71  1.0
  Ta  Ta7  1  0.56  0.48  0.51  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0
  Bi  Bi1  1  0.0  0.0  0.3  1.0
  Bi  Bi2  1  0.56  0.48  0.3  1.0
  Bi  Bi3  1  0.0  0.96  0.1  1.0

data_TaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi
_chemical_formula_sum   'Ta4 Bi4'
_cell_volume   191.11
_cell_formula_units_Z   4
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  0.96  0.71  1.0
  Ta  Ta1  1  0.0  0.96  0.89  1.0
  Ta  Ta2  1  0.56  0.48  0.51  1.0
  Ta  Ta3  1  0.56  0.48  0.69  1.0
  Bi  Bi4  1  0.0  0.0  0.1  1.0
  Bi  Bi5  1  0.0  0.0  0.3  1.0
  Bi  Bi6  1  0.0  0.96  0.1  1.0
  Bi  Bi7  1  0.56  0.48  0.3  1.0

Ta Ta Ta Ta Bi Bi Bi Bi