data_[K4Au4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.7940]
_cell_length_b [6.4256]
_cell_length_c [12.2420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [KAuCl4]
_chemical_formula_sum '[K4 Au4 Cl16]'
_cell_volume [688.5809]
_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  4  0.2250  0.2988  0.6849  1
  Au  Au1  2  0.0125  0.2470  0.0015  1
  Au  Au2  2  0.5118  0.2483  0.0063  1
  Cl  Cl3  4  0.1079  0.1979  0.1835  1
  Cl  Cl4  4  0.1397  0.0495  0.4519  1
  Cl  Cl5  4  0.3476  0.4906  0.4356  1
  Cl  Cl6  4  0.5082  0.0974  0.8344  1
]