data_[Cs8Li8I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6920]
_cell_length_b [20.8737]
_cell_length_c [13.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsLiI2]
_chemical_formula_sum '[Cs8 Li8 I16]'
_cell_volume [1353.0907]
_cell_formula_units_Z [8]
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  0.3437  0.5147  1.0
  Cs  Cs1  4  0.0000  0.4893  0.2363  1.0
  Li  Li2  4  0.0000  0.1294  0.4498  1.0
  Li  Li3  4  0.0000  0.2784  0.2147  1.0
  I  I4  4  0.0000  0.0004  0.4947  1.0
  I  I5  4  0.0000  0.1460  0.2455  1.0
  I  I6  4  0.0000  0.1617  0.7835  1.0
  I  I7  4  0.0000  0.3095  0.0192  1.0
]