data_[Th8Zn12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.3868]
_cell_length_b [11.4365]
_cell_length_c [5.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Th2Zn3Pd5]
_chemical_formula_sum '[Th8 Zn12 Pd20]'
_cell_volume [761.9561]
_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  8  0.2203  0.3706  0.0000  1
  Zn  Zn1  8  0.1153  0.3592  0.5000  1
  Zn  Zn2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  8  0.0000  0.2241  0.2500  1
  Pd  Pd4  8  0.1697  0.1012  0.0000  1
  Pd  Pd5  4  0.0000  0.5000  0.2500  1
]