data_[Hg2Ge4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [14.9065]
_cell_length_b [8.0507]
_cell_length_c [9.8315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(GeBr4)2]
_chemical_formula_sum '[Hg2 Ge4 Br16]'
_cell_volume [1053.3326]
_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
[
  Hg  Hg0  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  4  0.2095  0.0000  0.6799  1.0
  Br  Br2  8  0.1505  0.2338  0.7495  1.0
  Br  Br3  4  0.1167  0.5000  0.1950  1.0
  Br  Br4  4  0.1545  0.0000  0.4198  1.0
]