data_[Li4Cd12In24]
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 [Cmc2_1]
_cell_length_a [9.7434]
_cell_length_b [17.9161]
_cell_length_c [5.7882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(CdIn2)3]
_chemical_formula_sum '[Li4 Cd12 In24]'
_cell_volume [1010.4028]
_cell_formula_units_Z [4]
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  0.2256  0.6466  1.0
  Cd  Cd1  8  0.1536  0.8867  0.4080  1.0
  Cd  Cd2  4  0.0000  0.3880  0.6480  1.0
  In  In3  8  0.1721  0.4673  0.0540  1.0
  In  In4  8  0.2426  0.2023  0.3472  1.0
  In  In5  4  0.0000  0.0663  0.3908  1.0
  In  In6  4  0.0000  0.3095  0.1816  1.0
]