data_[Th4Zn8Pd12]
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 [Cmcm]
_cell_length_a [9.7021]
_cell_length_b [8.4758]
_cell_length_c [5.3627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ThZn2Pd3]
_chemical_formula_sum '[Th4 Zn8 Pd12]'
_cell_volume [440.9908]
_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  0.0000  0.3113  0.2500  1
  Zn  Zn1  8  0.2312  0.0000  0.0000  1
  Pd  Pd2  8  0.1585  0.2768  0.7500  1
  Pd  Pd3  4  0.0000  0.0107  0.7500  1
]