data_[Cs20As8I4]
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 [I4/mcm]
_cell_length_a [9.5251]
_cell_length_b [9.5251]
_cell_length_c [17.7929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cs5As2I]
_chemical_formula_sum '[Cs20 As8 I4]'
_cell_volume [1614.2941]
_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  16  0.1799  0.3201  0.3707  1.0
  Cs  Cs1  4  0.0000  0.0000  0.0000  1.0
  As  As2  8  0.0971  0.5971  0.5000  1.0
  I  I3  4  0.0000  0.0000  0.2500  1.0
]