data_[K2Au4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.0832]
_cell_length_b [20.4429]
_cell_length_c [4.7524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [KAu2I7]
_chemical_formula_sum '[K2 Au4 I14]'
_cell_volume [882.4658]
_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  0.0000  1.0
  Au  Au1  4  0.0000  0.3623  0.5000  1.0
  I  I2  8  0.1616  0.1174  0.5000  1.0
  I  I3  4  0.0000  0.2995  0.0000  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
]