data_[Pr8Th4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6932]
_cell_length_b [6.3892]
_cell_length_c [7.6069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2ThPd2]
_chemical_formula_sum '[Pr8 Th4 Pd8]'
_cell_volume [556.7612]
_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
[
  Pr  Pr0  8  0.1514  0.3876  0.6509  1
  Th  Th1  4  0.0000  0.1060  0.2500  1
  Pd  Pd2  8  0.1499  0.1363  0.0080  1
]