data_[Cs1Y1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4857]
_cell_length_b [7.8733]
_cell_length_c [10.3566]
_cell_angle_alpha [83.1496]
_cell_angle_beta [83.0569]
_cell_angle_gamma [86.0676]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsY(SnI4)2]
_chemical_formula_sum '[Cs1 Y1 Sn2 I8]'
_cell_volume [600.6767]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4686  0.4849  0.7467  1.0
  I  I3  2  0.2232  0.3206  0.9807  1.0
  I  I4  2  0.2397  0.8333  0.2015  1.0
  I  I5  2  0.2601  0.3935  0.5445  1.0
  I  I6  2  0.2634  0.8549  0.7861  1.0
]