data_[Cs12K6Sn6Cl36]
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
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9836]
_cell_length_b [7.9836]
_cell_length_c [41.0422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2KSnCl6]
_chemical_formula_sum '[Cs12 K6 Sn6 Cl36]'
_cell_volume [2265.4729]
_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  0.1413  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2714  1.0
  K  K2  6  0.0000  0.0000  0.4098  1.0
  Sn  Sn3  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0001  0.5001  0.1252  1.0
  Cl  Cl6  18  0.0417  0.5208  0.7015  1.0
]