data_GaReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   152.28
_cell_angle_beta   140.19
_cell_angle_gamma   49.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReBi2
_chemical_formula_sum   'Ga1 Re1 Bi2'
_cell_volume   97.65
_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
  Ga  Ga2  1  0.0  0.0  0.17  1.0
  Re  Re3  1  0.0  0.35  0.1  1.0
  Bi  Bi0  1  0.0  0.0  0.79  1.0
  Bi  Bi1  1  0.65  0.0  0.05  1.0

data_GaReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.7
_cell_length_c   6.9
_cell_angle_alpha   109.91
_cell_angle_beta   103.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReBi2
_chemical_formula_sum   'Ga1 Re1 Bi2'
_cell_volume   97.65
_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
  Ga  Ga0  1  0.0  0.17  0.17  1.0
  Re  Re1  1  0.65  0.75  0.75  1.0
  Bi  Bi2  1  0.0  0.05  0.39  1.0
  Bi  Bi3  1  0.0  0.79  0.79  1.0

Ga Re Bi Bi
Ga Re Bi Bi 0 3 - o o 1 2 o o - 