data_[Tl20Hg8Pt2]
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
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.3556]
_cell_length_b [11.3556]
_cell_length_c [7.3098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Tl10Hg4Pt]
_chemical_formula_sum '[Tl20 Hg8 Pt2]'
_cell_volume [942.5905]
_cell_formula_units_Z [2]
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  16  0.0937  0.8096  0.2343  1
  Tl  Tl1  4  0.0000  0.5000  0.2500  1
  Hg  Hg2  8  0.1013  0.2945  0.5000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
]