data_[K8Na4Sn4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8885]
_cell_length_b [20.2476]
_cell_length_c [16.2089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaSnI5]
_chemical_formula_sum '[K8 Na4 Sn4 I20]'
_cell_volume [1604.3651]
_cell_formula_units_Z [4]
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  4  0.0000  0.1037  0.6553  1.0
  K  K1  4  0.0000  0.1465  0.3024  1.0
  Na  Na2  4  0.0000  0.2212  0.0363  1.0
  Sn  Sn3  4  0.0000  0.4592  0.4456  1.0
  I  I4  4  0.0000  0.0608  0.0646  1.0
  I  I5  4  0.0000  0.2737  0.6717  1.0
  I  I6  4  0.0000  0.3128  0.4009  1.0
  I  I7  4  0.0000  0.3769  0.9861  1.0
  I  I8  4  0.0000  0.4986  0.7612  1.0
]