data_[Hg16Pt4Br8O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4485]
_cell_length_b [11.4034]
_cell_length_c [8.1238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg4PtBr2O]
_chemical_formula_sum '[Hg16 Pt4 Br8 O4]'
_cell_volume [828.4283]
_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  0.0414  0.2354  0.5337  1
  Hg  Hg1  8  0.1941  0.0529  0.3776  1
  Pt  Pt2  4  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.0000  0.5000  0.0000  1
  Br  Br4  4  0.2500  0.2500  0.0000  1
  O  O5  4  0.2500  0.2500  0.5000  1
]