data_[Tl4Pt4Pb12]
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 [Pnma]
_cell_length_a [10.2428]
_cell_length_b [4.6130]
_cell_length_c [12.2221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlPtPb3]
_chemical_formula_sum '[Tl4 Pt4 Pb12]'
_cell_volume [577.4938]
_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  0.1378  0.2500  0.9921  1.0
  Pt  Pt1  4  0.0504  0.2500  0.6601  1.0
  Pb  Pb2  4  0.0926  0.2500  0.4260  1.0
  Pb  Pb3  4  0.1233  0.7500  0.7868  1.0
  Pb  Pb4  4  0.1612  0.7500  0.1866  1.0
]