data_[Cs1Sn2As1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6224]
_cell_length_b [8.0877]
_cell_length_c [10.4284]
_cell_angle_alpha [74.0516]
_cell_angle_beta [80.3214]
_cell_angle_gamma [76.7369]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn2AsI8]
_chemical_formula_sum '[Cs1 Sn2 As1 I8]'
_cell_volume [597.8486]
_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
  Sn  Sn1  2  0.4487  0.4392  0.7394  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  I  I3  2  0.1504  0.7330  0.2281  1.0
  I  I4  2  0.2396  0.8071  0.8204  1.0
  I  I5  2  0.2668  0.2096  0.9892  1.0
  I  I6  2  0.3929  0.2739  0.5293  1.0
]