data_[K2Hg14Au10]
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 [Imm2]
_cell_length_a [5.7614]
_cell_length_b [10.0252]
_cell_length_c [10.5276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KHg7Au5]
_chemical_formula_sum '[K2 Hg14 Au10]'
_cell_volume [608.0649]
_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  0.9960  1.0
  Hg  Hg1  4  0.0000  0.2937  0.5066  1.0
  Hg  Hg2  4  0.0000  0.3516  0.0004  1.0
  Hg  Hg3  2  0.0000  0.0000  0.3355  1.0
  Hg  Hg4  2  0.0000  0.0000  0.6411  1.0
  Hg  Hg5  2  0.0000  0.5000  0.2784  1.0
  Au  Au6  8  0.2489  0.2550  0.7576  1.0
  Au  Au7  2  0.0000  0.5000  0.7045  1.0
]