data_[Li2Si4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3887]
_cell_length_b [11.7246]
_cell_length_c [7.0415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(SiI4)2]
_chemical_formula_sum '[Li2 Si4 I16]'
_cell_volume [1097.9423]
_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  2  0.0000  0.0000  0.0000  1
  Si  Si1  4  0.2034  0.0000  0.6918  1
  I  I2  8  0.1052  0.1708  0.7980  1
  I  I3  4  0.1182  0.5000  0.1420  1
  I  I4  4  0.2043  0.0000  0.3340  1
]