data_[Li16Cd2In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5916]
_cell_length_b [14.0757]
_cell_length_c [4.8839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8CdIn2]
_chemical_formula_sum '[Li16 Cd2 In4]'
_cell_volume [414.1145]
_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  8  0.2270  0.1279  0.2041  1.0
  Li  Li1  4  0.0000  0.2031  0.5000  1.0
  Li  Li2  4  0.0638  0.5000  0.2875  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  In  In4  4  0.0000  0.3148  0.0000  1.0
]