data_[K4H12Au4]
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 [Cm]
_cell_length_a [13.1835]
_cell_length_b [4.3853]
_cell_length_c [5.9879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KH3Au]
_chemical_formula_sum '[K4 H12 Au4]'
_cell_volume [343.7684]
_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  2  0.0947  0.5000  0.4958  1.0
  K  K1  2  0.3356  0.5000  0.9929  1.0
  H  H2  2  0.0369  0.0000  0.2146  1.0
  H  H3  2  0.2009  0.0000  0.8315  1.0
  H  H4  2  0.4201  0.0000  0.7756  1.0
  H  H5  2  0.4472  0.5000  0.5820  1.0
  H  H6  2  0.4614  0.0000  0.8786  1.0
  H  H7  2  0.4903  0.5000  0.6808  1.0
  Au  Au8  2  0.1244  0.0000  0.0341  1.0
  Au  Au9  2  0.2973  0.0000  0.4126  1.0
]