data_[Cs6Li2I8]
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 [P2_1/m]
_cell_length_a [5.1944]
_cell_length_b [9.3335]
_cell_length_c [17.5656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs3LiI4]
_chemical_formula_sum '[Cs6 Li2 I8]'
_cell_volume [842.2244]
_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
[
  Cs  Cs0  2  0.2700  0.7500  0.5424  1.0
  Cs  Cs1  2  0.3684  0.2500  0.7399  1.0
  Cs  Cs2  2  0.5000  0.0000  0.0000  1.0
  Li  Li3  2  0.1327  0.2500  0.2613  1.0
  I  I4  4  0.1822  0.0067  0.3614  1.0
  I  I5  2  0.0469  0.7500  0.0931  1.0
  I  I6  2  0.4045  0.7500  0.8119  1.0
]