data_[Li4Zr2Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7119]
_cell_length_b [7.6223]
_cell_length_c [13.0503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2ZrCd8]
_chemical_formula_sum '[Li4 Zr2 Cd16]'
_cell_volume [468.7102]
_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  4  0.0000  0.5000  0.2143  1
  Zr  Zr1  2  0.0000  0.5000  0.5000  1
  Cd  Cd2  8  0.0000  0.1960  0.3568  1
  Cd  Cd3  4  0.0000  0.0000  0.1579  1
  Cd  Cd4  4  0.0000  0.3012  0.0000  1
]