data_[Tl4Pt12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [13.0566]
_cell_length_b [7.5297]
_cell_length_c [5.5558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlPt3Pb2]
_chemical_formula_sum '[Tl4 Pt12 Pb8]'
_cell_volume [546.2038]
_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
[
  Tl  Tl0  4  0.0000  0.1630  0.2500  1
  Pt  Pt1  8  0.1685  0.0000  0.0000  1
  Pt  Pt2  4  0.0000  0.5000  0.0000  1
  Pb  Pb3  8  0.1654  0.3323  0.7500  1
]