data_[Li4In8]
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 [Cm]
_cell_length_a [11.5104]
_cell_length_b [3.5293]
_cell_length_c [7.0229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiIn2]
_chemical_formula_sum '[Li4 In8]'
_cell_volume [280.2451]
_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  2  0.0414  0.0000  0.5909  1.0
  Li  Li1  2  0.2251  0.5000  0.9456  1.0
  In  In2  2  0.0183  0.0000  0.9954  1.0
  In  In3  2  0.1669  0.5000  0.3533  1.0
  In  In4  2  0.3333  0.0000  0.6882  1.0
  In  In5  2  0.3816  0.0000  0.2600  1.0
]