data_[La16Pr2Cd4]
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 [C2/m]
_cell_length_a [15.6471]
_cell_length_b [7.0498]
_cell_length_c [6.8588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8PrCd2]
_chemical_formula_sum '[La16 Pr2 Cd4]'
_cell_volume [744.0797]
_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  0.0909  0.2743  0.4308  1.0
  La  La1  4  0.0914  0.5000  0.9383  1.0
  La  La2  4  0.2042  0.0000  0.7928  1.0
  Pr  Pr3  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd4  4  0.2342  0.0000  0.2794  1.0
]