data_[Ge4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3775]
_cell_length_b [4.0108]
_cell_length_c [9.9427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.4748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeBr2]
_chemical_formula_sum '[Ge4 Br8]'
_cell_volume [422.8825]
_cell_formula_units_Z [4]
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  4  0.1075  0.0000  0.2628  1.0
  Br  Br1  4  0.0606  0.5000  0.8593  1.0
  Br  Br2  4  0.1779  0.0000  0.5752  1.0
]