data_[Hg8Pb4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0693]
_cell_length_b [13.0040]
_cell_length_c [7.5802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2PbBr6]
_chemical_formula_sum '[Hg8 Pb4 Br24]'
_cell_volume [1366.8528]
_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  8  0.1831  0.4173  0.8271  1.0
  Pb  Pb1  4  0.0000  0.1087  0.7500  1.0
  Br  Br2  8  0.1182  0.0833  0.1288  1.0
  Br  Br3  8  0.1262  0.2602  0.6117  1.0
  Br  Br4  8  0.1287  0.4073  0.1456  1.0
]