data_[Na4H12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5660]
_cell_length_b [3.6134]
_cell_length_c [8.4235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaH3Au]
_chemical_formula_sum '[Na4 H12 Au4]'
_cell_volume [266.8569]
_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
[
  Na  Na0  2  0.1237  0.5000  0.0582  1.0
  Na  Na1  2  0.4496  0.0000  0.5542  1.0
  H  H2  2  0.1885  0.5000  0.7990  1.0
  H  H3  2  0.2054  0.0000  0.2882  1.0
  H  H4  2  0.2634  0.0000  0.0058  1.0
  H  H5  2  0.3100  0.0000  0.1150  1.0
  H  H6  2  0.4358  0.5000  0.3758  1.0
  H  H7  2  0.4894  0.5000  0.7716  1.0
  Au  Au8  2  0.0761  0.0000  0.3410  1.0
  Au  Au9  2  0.3335  0.5000  0.7746  1.0
]