data_[Hg12H12Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.3689]
_cell_length_b [5.3767]
_cell_length_c [9.9201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [HgHPt]
_chemical_formula_sum '[Hg12 H12 Pt12]'
_cell_volume [602.1280]
_cell_formula_units_Z [12]
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  0.0704  0.4096  0.3282  1.0
  Hg  Hg1  4  0.1726  0.2749  0.6989  1.0
  Hg  Hg2  4  0.3434  0.8432  0.8195  1.0
  H  H3  4  0.1295  0.1022  0.9584  1.0
  H  H4  4  0.3837  0.3010  0.0331  1.0
  H  H5  4  0.3864  0.3914  0.6988  1.0
  Pt  Pt6  4  0.0070  0.0921  0.7396  1.0
  Pt  Pt7  4  0.0938  0.7714  0.5832  1.0
  Pt  Pt8  4  0.4131  0.3478  0.8903  1.0
]