data_[K4Au4I14]
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 [C2/m]
_cell_length_a [11.0062]
_cell_length_b [16.7246]
_cell_length_c [5.8488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Au2I7]
_chemical_formula_sum '[K4 Au4 I14]'
_cell_volume [1040.7196]
_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  0.0000  0.2966  0.0000  1.0
  Au  Au1  4  0.2190  0.0000  0.3006  1.0
  I  I2  8  0.2428  0.1561  0.2690  1.0
  I  I3  4  0.0962  0.5000  0.2180  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]