data_[K4Hg4Au4]
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 [P1]
_cell_length_a [6.6219]
_cell_length_b [6.6537]
_cell_length_c [9.6987]
_cell_angle_alpha [103.3297]
_cell_angle_beta [106.5281]
_cell_angle_gamma [104.1299]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHgAu]
_chemical_formula_sum '[K4 Hg4 Au4]'
_cell_volume [376.0215]
_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  1  0.1360  0.3643  0.6232  1
  K  K1  1  0.1653  0.8442  0.1373  1
  K  K2  1  0.6297  0.3878  0.1437  1
  K  K3  1  0.6309  0.7937  0.5710  1
  Hg  Hg4  1  0.0252  0.2488  0.9661  1
  Hg  Hg5  1  0.0952  0.8055  0.4683  1
  Hg  Hg6  1  0.5407  0.2394  0.4685  1
  Hg  Hg7  1  0.5889  0.8143  0.9522  1
  Au  Au8  1  0.1406  0.8625  0.7967  1
  Au  Au9  1  0.4961  0.1505  0.7797  1
  Au  Au10  1  0.7432  0.9585  0.2877  1
  Au  Au11  1  0.8008  0.5233  0.7982  1
]