data_[K4As8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [15.1831]
_cell_length_b [13.5802]
_cell_length_c [11.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K(AsI3)2]
_chemical_formula_sum '[K4 As8 I24]'
_cell_volume [1976.0923]
_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
[
  K  K0  4  0.0000  0.0822  0.2500  1.0
  As  As1  8  0.1287  0.4547  0.2143  1.0
  I  I2  8  0.1181  0.4756  0.4607  1.0
  I  I3  8  0.1346  0.2661  0.1707  1.0
  I  I4  8  0.1525  0.0148  0.6176  1.0
]