data_[K1Sb1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9699]
_cell_length_b [8.0863]
_cell_length_c [8.4793]
_cell_angle_alpha [70.0329]
_cell_angle_beta [68.5439]
_cell_angle_gamma [71.2876]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSbI6]
_chemical_formula_sum '[K1 Sb1 I6]'
_cell_volume [407.4271]
_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  1  0.5000  0.5000  0.5000  1
  Sb  Sb1  1  0.0000  0.0000  0.0000  1
  I  I2  2  0.0197  0.3027  0.6776  1
  I  I3  2  0.2371  0.1442  0.1142  1
  I  I4  2  0.4020  0.7725  0.8068  1
]