data_[Pr8Y2Th6]
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 [Pmmn]
_cell_length_a [5.1171]
_cell_length_b [10.2646]
_cell_length_c [10.3993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr4YTh3]
_chemical_formula_sum '[Pr8 Y2 Th6]'
_cell_volume [546.2282]
_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  4  0.0000  0.2492  0.1355  1
  Pr  Pr1  2  0.0000  0.0000  0.8690  1
  Pr  Pr2  2  0.0000  0.5000  0.8605  1
  Y  Y3  2  0.0000  0.5000  0.3829  1
  Th  Th4  4  0.0000  0.2526  0.6167  1
  Th  Th5  2  0.0000  0.0000  0.3822  1
]