data_[Cs4As8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6027]
_cell_length_b [14.4498]
_cell_length_c [11.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs(AsI3)2]
_chemical_formula_sum '[Cs4 As8 I24]'
_cell_volume [2153.3474]
_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  0.1101  0.7500  1.0
  As  As1  8  0.1318  0.4715  0.7238  1.0
  I  I2  8  0.1164  0.4740  0.9643  1.0
  I  I3  8  0.1606  0.0296  0.6033  1.0
  I  I4  8  0.1631  0.2964  0.7020  1.0
]