data_[Th8In10Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.0232]
_cell_length_b [10.6809]
_cell_length_c [8.0892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Th4In5Pb]
_chemical_formula_sum '[Th8 In10 Pb2]'
_cell_volume [606.8072]
_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  4  0.0000  0.3162  0.5030  1
  Th  Th1  4  0.2490  0.0000  0.1906  1
  In  In2  8  0.2114  0.1911  0.8367  1
  In  In3  2  0.0000  0.5000  0.1624  1
  Pb  Pb4  2  0.0000  0.0000  0.5487  1
]