data_GaGeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   4.74
_cell_angle_alpha   99.84
_cell_angle_beta   99.84
_cell_angle_gamma   32.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeBr2
_chemical_formula_sum   'Ga1 Ge1 Br2'
_cell_volume   108.62
_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  0.07  0.0  0.16  1.0
  Ge  Ge3  1  0.08  0.0  0.71  1.0
  Br  Br0  1  0.41  0.0  0.33  1.0
  Br  Br1  1  0.2  0.0  0.47  1.0

data_GaGeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.74
_cell_length_c   6.56
_cell_angle_alpha   99.84
_cell_angle_beta   106.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeBr2
_chemical_formula_sum   'Ga1 Ge1 Br2'
_cell_volume   108.62
_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  0.16  0.07  1.0
  Ge  Ge1  1  0.0  0.71  0.08  1.0
  Br  Br2  1  0.0  0.33  0.41  1.0
  Br  Br3  1  0.0  0.47  0.2  1.0

Ga Ge Br Br