data_[Li12Cd2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4771]
_cell_length_b [6.4412]
_cell_length_c [9.0118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6CdSi]
_chemical_formula_sum '[Li12 Cd2 Si2]'
_cell_volume [259.8824]
_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  0.2486  0.1285  1.0
  Li  Li1  4  0.5000  0.2383  0.3669  1.0
  Li  Li2  2  0.0000  0.0000  0.4162  1.0
  Li  Li3  2  0.5000  0.0000  0.1030  1.0
  Cd  Cd4  2  0.0000  0.0000  0.8658  1.0
  Si  Si5  2  0.5000  0.0000  0.6245  1.0
]