data_[K28Au4Cl20]
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 [Cmcm]
_cell_length_a [4.4956]
_cell_length_b [15.0604]
_cell_length_c [27.2865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K7AuCl5]
_chemical_formula_sum '[K28 Au4 Cl20]'
_cell_volume [1847.4387]
_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  8  0.0000  0.1357  0.5349  1
  K  K1  8  0.0000  0.3187  0.1746  1
  K  K2  8  0.0000  0.4095  0.6063  1
  K  K3  4  0.0000  0.0382  0.2500  1
  Au  Au4  4  0.0000  0.2919  0.7500  1
  Cl  Cl5  8  0.0000  0.0420  0.6395  1
  Cl  Cl6  8  0.0000  0.2267  0.0711  1
  Cl  Cl7  4  0.0000  0.5000  0.0000  1
]