data_[Hg4Ge4Br16]
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/c]
_cell_length_a [8.3335]
_cell_length_b [20.1584]
_cell_length_c [6.6437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgGeBr4]
_chemical_formula_sum '[Hg4 Ge4 Br16]'
_cell_volume [872.2407]
_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
[
  Hg  Hg0  4  0.0000  0.4018  0.7500  1.0
  Ge  Ge1  4  0.0000  0.0915  0.2500  1.0
  Br  Br2  8  0.2227  0.8213  0.7538  1.0
  Br  Br3  8  0.2440  0.4462  0.2272  1.0
]