data_[Li1Pr5Cd4]
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 [P4/mmm]
_cell_length_a [3.9128]
_cell_length_b [3.9128]
_cell_length_c [19.0289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiPr5Cd4]
_chemical_formula_sum '[Li1 Pr5 Cd4]'
_cell_volume [291.3280]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  2  0.5000  0.5000  0.0995  1.0
  Pr  Pr2  2  0.5000  0.5000  0.2992  1.0
  Pr  Pr3  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd4  2  0.0000  0.0000  0.1970  1.0
  Cd  Cd5  2  0.0000  0.0000  0.3988  1.0
]