data_[Li16In2Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0419]
_cell_length_b [4.4976]
_cell_length_c [7.3890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8InSi2]
_chemical_formula_sum '[Li16 In2 Si4]'
_cell_volume [361.1207]
_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  0.0368  0.0000  0.3493  1.0
  Li  Li1  4  0.1279  0.5000  0.7970  1.0
  Li  Li2  4  0.1523  0.0000  0.0606  1.0
  Li  Li3  4  0.1877  0.5000  0.4958  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Si  Si5  4  0.2216  0.0000  0.7500  1.0
]