data_[K12P4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.8464]
_cell_length_b [18.6153]
_cell_length_c [8.3463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [K3PAu5]
_chemical_formula_sum '[K12 P4 Au20]'
_cell_volume [908.3489]
_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  0.0886  0.3716  1.0
  K  K1  4  0.0000  0.2500  0.6029  1.0
  P  P2  4  0.0000  0.2500  0.1612  1.0
  Au  Au3  8  0.0000  0.1550  0.9776  1.0
  Au  Au4  8  0.2500  0.0761  0.7500  1.0
  Au  Au5  4  0.0000  0.0000  0.0000  1.0
]