data_[La12Pr20Th8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.3146]
_cell_length_b [14.4893]
_cell_length_c [10.3382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3Pr5Th2]
_chemical_formula_sum '[La12 Pr20 Th8]'
_cell_volume [1420.4551]
_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
[
  La  La0  8  0.1505  0.1250  0.0513  1
  La  La1  4  0.0000  0.2373  0.2500  1
  Pr  Pr2  8  0.2458  0.3764  0.2459  1
  Pr  Pr3  4  0.0000  0.0229  0.2500  1
  Pr  Pr4  4  0.0000  0.2722  0.7500  1
  Pr  Pr5  4  0.0000  0.4855  0.7500  1
  Th  Th6  8  0.1562  0.3739  0.5591  1
]