data_[Li10In8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.4067]
_cell_length_b [8.4067]
_cell_length_c [5.9329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Li5In4]
_chemical_formula_sum '[Li10 In8]'
_cell_volume [363.1153]
_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  6  0.0000  0.3085  0.2500  1.0
  Li  Li1  4  0.3333  0.6667  0.0000  1.0
  In  In2  6  0.0000  0.3627  0.7500  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
]