data_[K4As4I16]
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 [9.8925]
_cell_length_b [16.7891]
_cell_length_c [7.5343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KAsI4]
_chemical_formula_sum '[K4 As4 I16]'
_cell_volume [1066.3760]
_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  0.0950  0.7500  1
  As  As1  4  0.0000  0.4184  0.2500  1
  I  I2  8  0.1730  0.3059  0.2038  1
  I  I3  8  0.2131  0.4448  0.6975  1
]