data_[K4H8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.7692]
_cell_length_b [4.6189]
_cell_length_c [5.5900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KH2Au]
_chemical_formula_sum '[K4 H8 Au4]'
_cell_volume [329.6930]
_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  0.1387  0.7500  0.0081  1.0
  H  H1  4  0.0466  0.2500  0.2014  1.0
  H  H2  4  0.1507  0.2500  0.7443  1.0
  Au  Au3  4  0.0927  0.2500  0.4780  1.0
]