data_[Li2Cd4In16]
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 [12.6620]
_cell_length_b [9.1714]
_cell_length_c [5.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(CdIn4)2]
_chemical_formula_sum '[Li2 Cd4 In16]'
_cell_volume [602.9344]
_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  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  4  0.1200  0.0000  0.5205  1.0
  In  In2  8  0.0770  0.2772  0.8006  1.0
  In  In3  4  0.1237  0.5000  0.3515  1.0
  In  In4  4  0.2359  0.0000  0.0848  1.0
]