data_GaBi2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   20.25
_cell_angle_beta   20.25
_cell_angle_gamma   20.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi2Br
_chemical_formula_sum   'Ga1 Bi2 Br1'
_cell_volume   110.86
_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  Ga3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.35  1.0
  Bi  Bi1  1  0.0  0.0  0.58  1.0
  Br  Br2  1  0.0  0.0  0.97  1.0

data_GaBi2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   3.58
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   101.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaBi2Br
_chemical_formula_sum   'Ga2 Bi4 Br2'
_cell_volume   221.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.42  1.0
  Bi  Bi2  2  0.0  0.0  0.65  1.0
  Br  Br3  2  0.0  0.0  0.03  1.0

Ga Bi Bi Br