data_[Pr2Y6Th4]
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 [P2_1/m]
_cell_length_a [8.6981]
_cell_length_b [3.6394]
_cell_length_c [12.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrY3Th2]
_chemical_formula_sum '[Pr2 Y6 Th4]'
_cell_volume [397.4065]
_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  2  0.1844  0.7500  0.7519  1
  Y  Y1  2  0.0995  0.7500  0.3947  1
  Y  Y2  2  0.3483  0.2500  0.9575  1
  Y  Y3  2  0.3970  0.2500  0.2469  1
  Th  Th4  2  0.0891  0.7500  0.1050  1
  Th  Th5  2  0.3634  0.2500  0.5536  1
]