data_[Th2Pd8Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2235]
_cell_length_b [5.7898]
_cell_length_c [7.0460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThPd4Pb]
_chemical_formula_sum '[Th2 Pd8 Pb2]'
_cell_volume [241.3208]
_cell_formula_units_Z [2]
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
[
  Th  Th0  2  0.2752  0.7500  0.5561  1
  Pd  Pd1  4  0.0510  0.0073  0.8007  1
  Pd  Pd2  2  0.2373  0.2500  0.5213  1
  Pd  Pd3  2  0.3037  0.2500  0.1475  1
  Pb  Pb4  2  0.4176  0.7500  0.1089  1
]