data_[K6Sn3Pb3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6182]
_cell_length_b [8.6182]
_cell_length_c [22.1883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2SnPbI6]
_chemical_formula_sum '[K6 Sn3 Pb3 I18]'
_cell_volume [1427.2245]
_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  0.0272  1.0
  K  K1  3  0.0000  0.0000  0.5280  1.0
  Sn  Sn2  3  0.0000  0.0000  0.3214  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8208  1.0
  I  I4  9  0.0060  0.3961  0.5782  1.0
  I  I5  9  0.0134  0.6146  0.0769  1.0
]