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 [Imm2]
_cell_length_a [5.0838]
_cell_length_b [9.0600]
_cell_length_c [7.5270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KH3Au]
_chemical_formula_sum '[K4 H12 Au4]'
_cell_volume [346.6887]
_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  0.0000  0.2535  0.5668  1.0
  H  H1  4  0.0000  0.3161  0.1959  1.0
  H  H2  4  0.2129  0.0000  0.2657  1.0
  H  H3  4  0.2158  0.5000  0.8559  1.0
  Au  Au4  2  0.0000  0.0000  0.9190  1.0
  Au  Au5  2  0.0000  0.5000  0.2082  1.0
]