data_[K3In6Sb3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6186]
_cell_length_b [8.6186]
_cell_length_c [22.5871]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KIn2SbI6]
_chemical_formula_sum '[K3 In6 Sb3 I18]'
_cell_volume [1452.9937]
_cell_formula_units_Z [3]
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  0.0000  0.1820  1.0
  In  In1  3  0.0000  0.0000  0.4801  1.0
  In  In2  3  0.0000  0.0000  0.9898  1.0
  Sb  Sb3  3  0.0000  0.0000  0.6733  1.0
  I  I4  9  0.0259  0.3864  0.4150  1.0
  I  I5  9  0.0536  0.6703  0.2559  1.0
]