data_[Tl4Pd12Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8414]
_cell_length_b [10.5238]
_cell_length_c [7.1208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3578]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(PdPb)3]
_chemical_formula_sum '[Tl4 Pd12 Pb12]'
_cell_volume [662.5427]
_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  0.2419  0.5000  0.1635  1.0
  Pd  Pd1  8  0.2499  0.2581  0.7110  1.0
  Pd  Pd2  4  0.0805  0.0000  0.1800  1.0
  Pb  Pb3  4  0.0000  0.1614  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2447  0.0000  1.0
  Pb  Pb5  4  0.1204  0.5000  0.6736  1.0
]