data_[Ge4Br16]
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 [P2_1/c]
_cell_length_a [11.0294]
_cell_length_b [7.2236]
_cell_length_c [11.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [GeBr4]
_chemical_formula_sum '[Ge4 Br16]'
_cell_volume [887.6322]
_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  0.2507  0.5709  0.6419  1.0
  Br  Br1  4  0.0875  0.0786  0.1993  1.0
  Br  Br2  4  0.1944  0.6275  0.0903  1.0
  Br  Br3  4  0.2994  0.0821  0.9804  1.0
  Br  Br4  4  0.4205  0.5697  0.7996  1.0
]