data_[Li16Al2In4]
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 [Cmmm]
_cell_length_a [8.4388]
_cell_length_b [11.2296]
_cell_length_c [4.6126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li8AlIn2]
_chemical_formula_sum '[Li16 Al2 In4]'
_cell_volume [437.1131]
_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  0.1612  0.1260  0.0000  1
  Li  Li1  4  0.0000  0.2411  0.5000  1
  Li  Li2  4  0.1701  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  In  In4  4  0.0000  0.3739  0.0000  1
]