data_[K12Na6Sn6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9416]
_cell_length_b [7.9416]
_cell_length_c [40.8723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2NaSnBr6]
_chemical_formula_sum '[K12 Na6 Sn6 Br36]'
_cell_volume [2232.4473]
_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
[
  K  K0  6  0.0000  0.0000  0.1454  1
  K  K1  6  0.0000  0.0000  0.2734  1
  Na  Na2  6  0.0000  0.0000  0.4151  1
  Sn  Sn3  3  -0.0000  -0.0000  0.5000  1
  Sn  Sn4  3  0.0000  0.0000  0.0000  1
  Br  Br5  18  0.0107  0.5054  0.8770  1
  Br  Br6  18  0.0183  0.5091  0.7040  1
]