data_[Ge4Au2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9156]
_cell_length_b [10.4151]
_cell_length_c [6.9699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2AuBr8]
_chemical_formula_sum '[Ge4 Au2 Br16]'
_cell_volume [923.1248]
_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  4  0.2081  0.0000  0.7017  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1130  0.1787  0.8118  1
  Br  Br3  4  0.1122  0.5000  0.1384  1
  Br  Br4  4  0.1790  0.0000  0.3531  1
]