data_[Th4In16Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [18.5882]
_cell_length_b [4.6569]
_cell_length_c [7.2073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Th(In2Pd)2]
_chemical_formula_sum '[Th4 In16 Pd8]'
_cell_volume [623.8925]
_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
[
  Th  Th0  4  0.1387  0.7500  0.5205  1
  In  In1  4  0.0351  0.2500  0.3398  1
  In  In2  4  0.0708  0.7500  0.9986  1
  In  In3  4  0.1846  0.2500  0.8239  1
  In  In4  4  0.1926  0.2500  0.2315  1
  Pd  Pd5  4  0.0394  0.2500  0.7365  1
  Pd  Pd6  4  0.2183  0.7500  0.0329  1
]