data_[Hg8Pt4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7843]
_cell_length_b [11.4104]
_cell_length_c [8.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2PtBr6]
_chemical_formula_sum '[Hg8 Pt4 Br24]'
_cell_volume [1227.3625]
_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  0.1851  0.4397  0.2060  1.0
  Pt  Pt1  4  0.0000  0.1015  0.2500  1.0
  Br  Br2  8  0.1108  0.0556  0.8673  1.0
  Br  Br3  8  0.1155  0.3956  0.8989  1.0
  Br  Br4  8  0.1194  0.2469  0.3751  1.0
]