data_[K24Hg4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [11.0074]
_cell_length_b [11.4559]
_cell_length_c [12.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K6HgAu2]
_chemical_formula_sum '[K24 Hg4 Au8]'
_cell_volume [1566.5227]
_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  8  0.0000  0.3296  0.3444  1.0
  K  K1  8  0.1755  0.2858  0.0000  1.0
  K  K2  8  0.1905  0.0000  0.2549  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
  Au  Au5  4  0.0000  0.5000  0.1174  1.0
  Au  Au6  4  0.2171  0.5000  0.5000  1.0
]