data_[Na8H24Au8]
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 [C2/c]
_cell_length_a [9.8318]
_cell_length_b [8.9557]
_cell_length_c [6.7033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaH3Au]
_chemical_formula_sum '[Na8 H24 Au8]'
_cell_volume [546.6324]
_cell_formula_units_Z [8]
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  8  0.2500  0.1257  0.2570  1.0
  H  H1  8  0.0988  0.2644  0.9130  1.0
  H  H2  8  0.1007  0.0018  0.9098  1.0
  H  H3  8  0.1826  0.3798  0.3513  1.0
  Au  Au4  4  0.0000  0.1336  0.7500  1.0
  Au  Au5  4  0.0000  0.3801  0.2500  1.0
]