data_[La12Pr4Th6]
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/m]
_cell_length_a [6.0911]
_cell_length_b [11.4543]
_cell_length_c [11.5496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Pr2Th3]
_chemical_formula_sum '[La12 Pr4 Th6]'
_cell_volume [794.3905]
_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
[
  La  La0  8  0.0637  0.1560  0.7284  1
  La  La1  4  0.0821  0.5000  0.7718  1
  Pr  Pr2  4  0.0000  0.3560  0.5000  1
  Th  Th3  4  0.0000  0.3230  0.0000  1
  Th  Th4  2  0.0000  0.0000  0.0000  1
]