data_[Li2Pr16Cd4]
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 [C2/m]
_cell_length_a [18.6250]
_cell_length_b [5.4483]
_cell_length_c [7.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Pr4Cd)2]
_chemical_formula_sum '[Li2 Pr16 Cd4]'
_cell_volume [712.1848]
_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
[
  Li  Li0  2  0.0000  0.5000  0.0000  1
  Pr  Pr1  4  0.0222  0.0000  0.7614  1
  Pr  Pr2  4  0.0929  0.5000  0.4609  1
  Pr  Pr3  4  0.1609  0.5000  0.9598  1
  Pr  Pr4  4  0.1938  0.0000  0.2854  1
  Cd  Cd5  4  0.1890  0.0000  0.7176  1
]