data_[Cs4Rb8Sn4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  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 [5.4495]
_cell_length_b [22.9224]
_cell_length_c [15.0423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CsRb2SnI5]
_chemical_formula_sum '[Cs4 Rb8 Sn4 I20]'
_cell_volume [1879.0008]
_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  0.2175  0.0157  1.0
  Rb  Rb1  4  0.0000  0.1082  0.6860  1.0
  Rb  Rb2  4  0.0000  0.1317  0.3032  1.0
  Sn  Sn3  4  0.0000  0.4737  0.4476  1.0
  I  I4  4  0.0000  0.0472  0.0490  1.0
  I  I5  4  0.0000  0.2757  0.7011  1.0
  I  I6  4  0.0000  0.3497  0.3639  1.0
  I  I7  4  0.0000  0.3843  0.0008  1.0
  I  I8  4  0.0000  0.4840  0.7567  1.0
]