data_[La36Pr3Cd18]
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 [R-3]
_cell_length_a [11.8884]
_cell_length_b [11.8884]
_cell_length_c [14.9223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12PrCd6]
_chemical_formula_sum '[La36 Pr3 Cd18]'
_cell_volume [1826.4803]
_cell_formula_units_Z [3]
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  18  0.0423  0.8503  0.8010  1.0
  La  La1  18  0.0581  0.2200  0.4061  1.0
  Pr  Pr2  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  18  0.0365  0.5916  0.7078  1.0
]