data_[Pr4Y20Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2101]
_cell_length_b [17.7154]
_cell_length_c [8.7875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrY5Th]
_chemical_formula_sum '[Pr4 Y20 Th4]'
_cell_volume [943.3783]
_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  4  0.0000  0.4879  0.2500  1
  Y  Y1  8  0.1186  0.3425  0.9599  1
  Y  Y2  8  0.2028  0.1864  0.6459  1
  Y  Y3  4  0.0000  0.1469  0.2500  1
  Th  Th4  4  0.0000  0.0000  0.0000  1
]