data_[La24Pr4Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.2070]
_cell_length_b [14.3808]
_cell_length_c [7.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La6PrCd3]
_chemical_formula_sum '[La24 Pr4 Cd12]'
_cell_volume [1338.7877]
_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  0.2167  0.4758  0.8989  1.0
  La  La1  8  0.2216  0.2157  0.7244  1.0
  La  La2  4  0.0000  0.0783  0.5981  1.0
  La  La3  4  0.0000  0.2978  0.8978  1.0
  Pr  Pr4  4  0.0000  0.3058  0.3810  1.0
  Cd  Cd5  8  0.1115  0.1229  0.1236  1.0
  Cd  Cd6  4  0.0000  0.4971  0.6438  1.0
]