data_[Li20Pr8Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.1066]
_cell_length_b [12.9835]
_cell_length_c [5.9953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li5Pr2Cd3]
_chemical_formula_sum '[Li20 Pr8 Cd12]'
_cell_volume [942.3826]
_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
[
  Li  Li0  8  0.1481  0.1332  0.5000  1.0
  Li  Li1  8  0.2383  0.5000  0.2500  1.0
  Li  Li2  4  0.0000  0.5000  0.2500  1.0
  Pr  Pr3  8  0.1056  0.2354  0.0000  1.0
  Cd  Cd4  8  0.1375  0.3476  0.5000  1.0
  Cd  Cd5  4  0.0000  0.0000  0.2500  1.0
]