data_Ge3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   75.06
_cell_angle_beta   75.06
_cell_angle_gamma   75.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Br2
_chemical_formula_sum   'Ge6 Br4'
_cell_volume   254.41
_cell_formula_units_Z   2
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
  Ge  Ge4  1  0.54  0.68  0.12  1.0
  Ge  Ge5  1  0.51  0.03  0.12  1.0
  Ge  Ge6  1  0.95  0.3  0.12  1.0
  Ge  Ge7  1  0.05  0.7  0.8  1.0
  Ge  Ge8  1  0.49  0.97  0.8  1.0
  Ge  Ge9  1  0.46  0.32  0.8  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.88  1.0
  Br  Br2  1  0.0  0.0  0.04  1.0
  Br  Br3  1  0.0  0.0  0.92  1.0

data_Ge3Br2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   75.06
_cell_angle_beta   75.06
_cell_angle_gamma   75.06
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge3Br2
_chemical_formula_sum   'Ge6 Br4'
_cell_volume   254.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ge  Ge0  2  0.03  0.51  0.16  1.0
  Ge  Ge1  2  0.3  0.95  0.16  1.0
  Ge  Ge2  2  0.32  0.46  0.84  1.0
  Br  Br3  2  0.0  0.0  0.04  1.0
  Br  Br4  2  0.0  0.0  0.08  1.0

Ge Ge Ge Ge Ge Ge Br Br Br Br