data_GaReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   154.89
_cell_angle_beta   145.8
_cell_angle_gamma   42.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReBr2
_chemical_formula_sum   'Ga1 Re1 Br2'
_cell_volume   91.82
_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  0.0  1.0
  Re  Re3  1  0.0  0.0  0.78  1.0
  Br  Br0  1  0.0  0.14  0.11  1.0
  Br  Br1  1  0.58  0.0  0.66  1.0

data_GaReBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.28
_cell_length_c   7.28
_cell_angle_alpha   107.1
_cell_angle_beta   102.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReBr2
_chemical_formula_sum   'Ga1 Re1 Br2'
_cell_volume   91.82
_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  0.0  1.0
  Re  Re1  1  0.22  0.22  0.22  1.0
  Br  Br2  1  0.89  0.03  0.03  1.0
  Br  Br3  1  0.92  0.34  0.92  1.0

Ga Re Br Br