data_[Cs12K6Pt6I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2668]
_cell_length_b [8.2668]
_cell_length_c [50.2578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2KPtI6]
_chemical_formula_sum '[Cs12 K6 Pt6 I36]'
_cell_volume [2974.4523]
_cell_formula_units_Z [6]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.1359  1.0
  Cs  Cs1  6  0.0000  0.0000  0.3052  1.0
  K  K2  6  0.0000  0.0000  0.4165  1.0
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
  I  I5  18  0.0112  0.5056  0.1350  1.0
  I  I6  18  0.0154  0.5077  0.6989  1.0
]