data_Ga2BiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiBr
_chemical_formula_sum   'Ga2 Bi1 Br1'
_cell_volume   105.08
_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  0.05  0.0  0.22  1.0
  Ga  Ga3  1  0.0  0.0  0.16  1.0
  Bi  Bi0  1  0.05  0.0  0.99  1.0
  Br  Br1  1  0.0  0.0  0.8  1.0

data_Ga2BiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiBr
_chemical_formula_sum   'Ga2 Bi1 Br1'
_cell_volume   105.08
_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  0.0  0.16  1.0
  Ga  Ga1  1  0.05  0.0  0.22  1.0
  Bi  Bi2  1  0.05  0.0  0.99  1.0
  Br  Br3  1  0.0  0.0  0.8  1.0

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