data_[Pr8Dy4Y20Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.7560]
_cell_length_b [8.7560]
_cell_length_c [15.5943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr2DyY5Th]
_chemical_formula_sum '[Pr8 Dy4 Y20 Th4]'
_cell_volume [1195.5843]
_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  0.1168  0.3832  0.0000  1
  Y  Y1  16  0.2131  0.2869  0.3599  1
  Y  Y2  4  0.0000  0.0000  0.0000  1
  Dy  Dy3  4  0.0000  0.5000  0.2500  1
  Th  Th4  4  0.0000  0.0000  0.2500  1
]