data_[Li2Sn4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.2649]
_cell_length_b [7.6044]
_cell_length_c [13.2662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li(SnI3)2]
_chemical_formula_sum '[Li2 Sn4 I12]'
_cell_volume [732.8908]
_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  0.5000  1.0
  Sn  Sn1  4  0.0000  0.5000  0.3279  1.0
  I  I2  8  0.2469  0.1723  0.3377  1.0
  I  I3  4  0.2258  0.6819  0.5000  1.0
]