data_[Pr16Y6Th4]
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 [Cmmm]
_cell_length_a [7.5711]
_cell_length_b [21.0849]
_cell_length_c [5.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr8Y3Th2]
_chemical_formula_sum '[Pr16 Y6 Th4]'
_cell_volume [928.3295]
_cell_formula_units_Z [2]
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  0.2071  0.3938  0.5000  1
  Pr  Pr1  4  0.0000  0.1353  0.0000  1
  Pr  Pr2  4  0.0000  0.3260  0.0000  1
  Y  Y3  4  0.2229  0.5000  0.0000  1
  Y  Y4  2  0.0000  0.0000  0.5000  1
  Th  Th5  4  0.0000  0.2425  0.5000  1
]