data_GeBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   5.71
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBr3
_chemical_formula_sum   'Ge2 Br6'
_cell_volume   233.92
_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  Ge6  1  0.0  0.0  0.68  1.0
  Ge  Ge7  1  0.02  0.85  0.44  1.0
  Br  Br0  1  0.02  0.0  0.71  1.0
  Br  Br1  1  0.0  0.85  0.42  1.0
  Br  Br2  1  0.0  0.28  0.79  1.0
  Br  Br3  1  0.0  0.42  0.79  1.0
  Br  Br4  1  0.02  0.43  0.34  1.0
  Br  Br5  1  0.02  0.28  0.34  1.0

data_GeBr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   5.71
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBr3
_chemical_formula_sum   'Ge2 Br6'
_cell_volume   233.92
_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  Ge0  1  0.0  0.0  0.68  1.0
  Ge  Ge1  1  0.02  0.85  0.44  1.0
  Br  Br2  1  0.0  0.28  0.79  1.0
  Br  Br3  1  0.0  0.42  0.79  1.0
  Br  Br4  1  0.0  0.85  0.42  1.0
  Br  Br5  1  0.02  0.0  0.71  1.0
  Br  Br6  1  0.02  0.28  0.34  1.0
  Br  Br7  1  0.02  0.43  0.34  1.0

Ge Ge Br Br Br Br Br Br