data_[Tl12Hg6Pt6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0901]
_cell_length_b [7.0901]
_cell_length_c [51.8233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2HgPtCl6]
_chemical_formula_sum '[Tl12 Hg6 Pt6 Cl36]'
_cell_volume [2256.1199]
_cell_formula_units_Z [6]
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
[
  Tl  Tl0  6  0.0000  0.0000  0.1447  1.0
  Tl  Tl1  6  0.0000  0.0000  0.3131  1.0
  Hg  Hg2  6  0.0000  0.0000  0.4092  1.0
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0192  0.5096  0.1407  1.0
  Cl  Cl6  18  0.0199  0.5100  0.6932  1.0
]