data_[K4Au4Cl12]
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 [P2_1/c]
_cell_length_a [6.6847]
_cell_length_b [8.7001]
_cell_length_c [12.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KAuCl3]
_chemical_formula_sum '[K4 Au4 Cl12]'
_cell_volume [611.4769]
_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  0.2091  0.6228  0.2543  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.5000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1749  0.6442  0.9630  1.0
  Cl  Cl4  4  0.2462  0.1422  0.9589  1.0
  Cl  Cl5  4  0.3455  0.0069  0.2788  1.0
]