data_GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi
_chemical_formula_sum   'Ga4 Bi4'
_cell_volume   219.38
_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
  Ga  Ga4  1  0.66  0.54  0.83  1.0
  Ga  Ga5  1  0.0  0.07  0.3  1.0
  Ga  Ga6  1  0.0  0.07  0.13  1.0
  Ga  Ga7  1  0.66  0.54  0.65  1.0
  Bi  Bi0  1  0.0  0.0  0.24  1.0
  Bi  Bi1  1  0.0  0.0  0.72  1.0
  Bi  Bi2  1  0.66  0.54  0.72  1.0
  Bi  Bi3  1  0.0  0.07  0.24  1.0

data_GaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi
_chemical_formula_sum   'Ga4 Bi4'
_cell_volume   219.38
_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
  Ga  Ga0  1  0.0  0.07  0.13  1.0
  Ga  Ga1  1  0.0  0.07  0.3  1.0
  Ga  Ga2  1  0.66  0.54  0.65  1.0
  Ga  Ga3  1  0.66  0.54  0.83  1.0
  Bi  Bi4  1  0.0  0.0  0.24  1.0
  Bi  Bi5  1  0.0  0.0  0.72  1.0
  Bi  Bi6  1  0.0  0.07  0.24  1.0
  Bi  Bi7  1  0.66  0.54  0.72  1.0

Ga Ga Ga Ga Bi Bi Bi Bi