data_[K8Sn4H4I20]
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
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8097]
_cell_length_b [21.1204]
_cell_length_c [14.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SnHI5]
_chemical_formula_sum '[K8 Sn4 H4 I20]'
_cell_volume [1462.0513]
_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  0.1241  0.6876  1.0
  K  K1  4  0.0000  0.1420  0.3432  1.0
  Sn  Sn2  4  0.0000  0.1807  0.0210  1.0
  H  H3  4  0.0000  0.4820  0.3940  1.0
  I  I4  4  0.0000  0.0381  0.0373  1.0
  I  I5  4  0.0000  0.3021  0.6717  1.0
  I  I6  4  0.0000  0.3143  0.3658  1.0
  I  I7  4  0.0000  0.3431  0.0177  1.0
  I  I8  4  0.0000  0.4926  0.7857  1.0
]