data_[Li6Cd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0445]
_cell_length_b [3.3158]
_cell_length_c [7.3784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCd]
_chemical_formula_sum '[Li6 Cd6]'
_cell_volume [230.0655]
_cell_formula_units_Z [6]
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  0.0216  0.0000  0.5452  1.0
  Li  Li1  2  0.0395  0.0000  0.0683  1.0
  Li  Li2  2  0.3642  0.0000  0.7331  1.0
  Cd  Cd3  2  0.1831  0.5000  0.8659  1.0
  Cd  Cd4  2  0.1955  0.5000  0.4063  1.0
  Cd  Cd5  2  0.3668  0.0000  0.2145  1.0
]