data_[Tl12Pd8Pb4]
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 [Fmm2]
_cell_length_a [5.9040]
_cell_length_b [9.6680]
_cell_length_c [9.7393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Tl3Pd2Pb]
_chemical_formula_sum '[Tl12 Pd8 Pb4]'
_cell_volume [555.9226]
_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  8  0.0000  0.1648  0.5001  1
  Tl  Tl1  4  0.0000  0.0000  0.8365  1
  Pd  Pd2  8  0.2500  0.2500  0.2507  1
  Pb  Pb3  4  0.0000  0.0000  0.1619  1
]