data_[Li2Zn2Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2840]
_cell_length_b [5.8345]
_cell_length_c [7.4146]
_cell_angle_alpha [68.4949]
_cell_angle_beta [76.7846]
_cell_angle_gamma [89.1358]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiZnCd3]
_chemical_formula_sum '[Li2 Zn2 Cd6]'
_cell_volume [206.4478]
_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  0.2877  0.5638  0.8613  1.0
  Zn  Zn1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  1  0.5000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.1579  0.1234  0.2884  1.0
  Cd  Cd4  2  0.1667  0.6003  0.2874  1.0
  Cd  Cd5  2  0.3796  0.1937  0.6065  1.0
]