data_[K2Sn4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0348]
_cell_length_b [5.8527]
_cell_length_c [11.6351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(SnI3)2]
_chemical_formula_sum '[K2 Sn4 I12]'
_cell_volume [897.5519]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  4  0.1830  0.0000  0.1550  1.0
  I  I2  4  0.0061  0.0000  0.1888  1.0
  I  I3  4  0.1648  0.5000  0.5706  1.0
  I  I4  4  0.1997  0.5000  0.1032  1.0
]