data_[K8Sn4Au4I20]
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 [Cmc2_1]
_cell_length_a [4.6700]
_cell_length_b [20.8858]
_cell_length_c [15.0786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2SnAuI5]
_chemical_formula_sum '[K8 Sn4 Au4 I20]'
_cell_volume [1470.7087]
_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  0.1203  0.3340  1.0
  K  K1  4  0.0000  0.1210  0.6992  1.0
  Sn  Sn2  4  0.0000  0.2032  0.0157  1.0
  Au  Au3  4  0.0000  0.4730  0.4372  1.0
  I  I4  4  0.0000  0.0411  0.0321  1.0
  I  I5  4  0.0000  0.2954  0.3657  1.0
  I  I6  4  0.0000  0.2964  0.6623  1.0
  I  I7  4  0.0000  0.3511  0.0159  1.0
  I  I8  4  0.0000  0.4983  0.7619  1.0
]