data_[Cs2Li6I8]
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 [Pm]
_cell_length_a [11.3604]
_cell_length_b [4.6808]
_cell_length_c [11.6277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsLi3I4]
_chemical_formula_sum '[Cs2 Li6 I8]'
_cell_volume [616.6310]
_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  1  0.3966  0.5000  0.7027  1.0
  Cs  Cs1  1  0.8612  0.5000  0.8458  1.0
  Li  Li2  1  0.0121  0.0000  0.5536  1.0
  Li  Li3  1  0.1860  0.0000  0.0167  1.0
  Li  Li4  1  0.2960  0.5000  0.3365  1.0
  Li  Li5  1  0.5429  0.5000  0.0583  1.0
  Li  Li6  1  0.6447  0.0000  0.3868  1.0
  Li  Li7  1  0.9276  0.5000  0.2343  1.0
  I  I8  1  0.0764  0.5000  0.4362  1.0
  I  I9  1  0.1391  0.0000  0.7758  1.0
  I  I10  1  0.3016  0.5000  0.0958  1.0
  I  I11  1  0.4047  0.0000  0.4295  1.0
  I  I12  1  0.5797  0.0000  0.9264  1.0
  I  I13  1  0.6858  0.5000  0.2617  1.0
  I  I14  1  0.7774  0.0000  0.5923  1.0
  I  I15  1  0.9683  0.0000  0.1093  1.0
]