data_[Li4Sn4I16]
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 [C2/c]
_cell_length_a [8.4176]
_cell_length_b [17.9730]
_cell_length_c [7.5674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiSnI4]
_chemical_formula_sum '[Li4 Sn4 I16]'
_cell_volume [964.3555]
_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  4  0.0000  0.0669  0.2500  1.0
  Sn  Sn1  4  0.0000  0.4284  0.7500  1.0
  I  I2  8  0.2392  0.1769  0.2530  1.0
  I  I3  8  0.2417  0.0555  0.7630  1.0
]