data_[Ge4Pb4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9675]
_cell_length_b [5.9043]
_cell_length_c [10.0773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GePbBr4]
_chemical_formula_sum '[Ge4 Pb4 Br16]'
_cell_volume [986.8515]
_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  0.0974  0.0000  0.7233  1.0
  Pb  Pb1  4  0.2158  0.0000  0.3006  1.0
  Br  Br2  4  0.0531  0.0000  0.3721  1.0
  Br  Br3  4  0.1123  0.0000  0.9847  1.0
  Br  Br4  4  0.1249  0.5000  0.7155  1.0
  Br  Br5  4  0.2194  0.5000  0.3613  1.0
]