data_Ga2ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   126.67
_cell_angle_beta   126.67
_cell_angle_gamma   78.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReBr
_chemical_formula_sum   'Ga2 Re1 Br1'
_cell_volume   69.0
_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  Ga1  1  0.0  0.16  0.86  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.16  0.0  0.86  1.0
  Br  Br0  1  0.0  0.0  0.71  1.0

data_Ga2ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   4.8
_cell_angle_alpha   116.67
_cell_angle_beta   116.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2ReBr
_chemical_formula_sum   'Ga2 Re1 Br1'
_cell_volume   69.0
_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
  Ga  Ga1  1  0.7  0.86  0.7  1.0
  Re  Re2  1  0.86  0.7  0.7  1.0
  Br  Br3  1  0.71  0.71  0.71  1.0

Ga Ga Re Br