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 [6.7075]
_cell_length_b [6.7282]
_cell_length_c [9.6535]
_cell_angle_alpha [107.8481]
_cell_angle_beta [103.5227]
_cell_angle_gamma [102.8890]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHgAu]
_chemical_formula_sum '[K4 Hg4 Au4]'
_cell_volume [382.2012]
_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  0.4881  0.2596  0.6255  1.0
  K  K1  1  0.5128  0.7546  0.1427  1.0
  K  K2  1  0.9382  0.7765  0.5700  1.0
  K  K3  1  0.9723  0.2933  0.1391  1.0
  Hg  Hg4  1  0.3610  0.1329  0.9440  1.0
  Hg  Hg5  1  0.3758  0.6621  0.4757  1.0
  Hg  Hg6  1  0.9266  0.2281  0.4737  1.0
  Hg  Hg7  1  0.9406  0.7158  0.9551  1.0
  Au  Au8  1  0.0023  0.2771  0.8022  1.0
  Au  Au9  1  0.2781  0.6341  0.7785  1.0
  Au  Au10  1  0.5455  0.3313  0.2880  1.0
  Au  Au11  1  0.6586  0.9346  0.7981  1.0
]