data_[Cs8Li4Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Cmc2_1]
_cell_length_a [4.8739]
_cell_length_b [22.6470]
_cell_length_c [15.5139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiSnI5]
_chemical_formula_sum '[Cs8 Li4 Sn4 I20]'
_cell_volume [1712.4202]
_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
[
  Cs  Cs0  4  0.0000  0.1059  0.6816  1.0
  Cs  Cs1  4  0.0000  0.1237  0.3042  1.0
  Li  Li2  4  0.0000  0.4286  0.4463  1.0
  Sn  Sn3  4  0.0000  0.2107  0.0186  1.0
  I  I4  4  0.0000  0.0666  0.0404  1.0
  I  I5  4  0.0000  0.2800  0.6564  1.0
  I  I6  4  0.0000  0.3079  0.3798  1.0
  I  I7  4  0.0000  0.3473  0.9970  1.0
  I  I8  4  0.0000  0.4944  0.2998  1.0
]