data_[K6I5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.6992]
_cell_length_b [9.6992]
_cell_length_c [20.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [K6I5]
_chemical_formula_sum '[K6 I5]'
_cell_volume [1633.4920]
_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
[
  K  K0  3  0.0000  0.6776  0.4333  1
  K  K1  2  0.3333  0.6667  0.5743  1
  K  K2  1  0.0000  0.0000  0.6415  1
  I  I3  3  0.0000  0.2929  0.5436  1
  I  I4  2  0.3333  0.6667  0.3896  1
]