data_[Cs3Sr6Li3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5265]
_cell_length_b [8.5265]
_cell_length_c [22.8699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsSr2LiI6]
_chemical_formula_sum '[Cs3 Sr6 Li3 I18]'
_cell_volume [1439.9236]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7920  1.0
  Sr  Sr1  3  0.0000  0.0000  0.5188  1.0
  Sr  Sr2  3  0.0000  0.0000  0.9998  1.0
  Li  Li3  3  0.0000  0.0000  0.3406  1.0
  I  I4  9  0.0077  0.3408  0.5880  1.0
  I  I5  9  0.1033  0.7482  0.0822  1.0
]