data_[Pr14Y8Th2]
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/m]
_cell_length_a [19.0792]
_cell_length_b [7.0811]
_cell_length_c [6.2254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr7Y4Th]
_chemical_formula_sum '[Pr14 Y8 Th2]'
_cell_volume [841.0711]
_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  0.0348  0.5000  0.7541  1
  Pr  Pr1  4  0.1832  0.0000  0.7568  1
  Pr  Pr2  4  0.2099  0.5000  0.7368  1
  Pr  Pr3  2  0.0000  0.0000  0.5000  1
  Y  Y4  8  0.1369  0.2625  0.2445  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]