data_[Li20Al4In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4515]
_cell_length_b [8.0290]
_cell_length_c [9.8356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5AlIn]
_chemical_formula_sum '[Li20 Al4 In4]'
_cell_volume [494.4555]
_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  8  0.1157  0.0418  0.6559  1.0
  Li  Li1  8  0.1784  0.4005  0.5408  1.0
  Li  Li2  4  0.0000  0.3726  0.7500  1.0
  Al  Al3  4  0.0000  0.2787  0.2500  1.0
  In  In4  4  0.2500  0.2500  0.0000  1.0
]