data_[Hg24Pt4I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8158]
_cell_length_b [17.0123]
_cell_length_c [9.5486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg6PtI2]
_chemical_formula_sum '[Hg24 Pt4 I8]'
_cell_volume [1244.4995]
_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  0.0638  0.0897  0.4833  1
  Hg  Hg1  8  0.1742  0.4468  0.7411  1
  Hg  Hg2  8  0.2402  0.1216  0.8498  1
  Pt  Pt3  4  0.0000  0.0138  0.7500  1
  I  I4  8  0.0238  0.2888  0.4811  1
]