data_[K4Sn2Au2I12]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2395]
_cell_length_b [8.5402]
_cell_length_c [14.1802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SnAuI6]
_chemical_formula_sum '[K4 Sn2 Au2 I12]'
_cell_volume [814.5238]
_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  4  0.2750  0.5735  0.7508  1.0
  Sn  Sn1  2  0.5000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1511  0.5150  0.2411  1.0
  I  I4  4  0.2474  0.2087  0.0451  1.0
  I  I5  4  0.3351  0.7044  0.0417  1.0
]