data_[Li16In4Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4963]
_cell_length_b [4.6884]
_cell_length_c [5.5210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8In2Sb]
_chemical_formula_sum '[Li16 In4 Sb2]'
_cell_volume [400.8999]
_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  4  0.0386  0.0000  0.7451  1.0
  Li  Li1  4  0.0970  0.5000  0.4543  1.0
  Li  Li2  4  0.1396  0.0000  0.1567  1.0
  Li  Li3  4  0.1833  0.5000  0.9065  1.0
  In  In4  4  0.2151  0.0000  0.6311  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]