data_[Tl8Pd8Pb8]
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 [Fmmm]
_cell_length_a [6.0755]
_cell_length_b [9.4383]
_cell_length_c [10.1369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [TlPdPb]
_chemical_formula_sum '[Tl8 Pd8 Pb8]'
_cell_volume [581.2750]
_cell_formula_units_Z [8]
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  0.1681  0.5000  1.0
  Pd  Pd1  8  0.2500  0.2500  0.2500  1.0
  Pb  Pb2  8  0.0000  0.0000  0.1638  1.0
]