data_[Ba20Ag8H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6723]
_cell_length_b [20.6290]
_cell_length_c [14.6101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Ag2HAu]
_chemical_formula_sum '[Ba20 Ag8 H4 Au4]'
_cell_volume [1408.1805]
_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
[
  Ba  Ba0  4  0.0000  0.0324  0.9917  1.0
  Ba  Ba1  4  0.0000  0.2991  0.6865  1.0
  Ba  Ba2  4  0.0000  0.3193  0.3726  1.0
  Ba  Ba3  4  0.0000  0.3470  0.0222  1.0
  Ba  Ba4  4  0.0000  0.4978  0.7595  1.0
  Ag  Ag5  4  0.0000  0.1186  0.7024  1.0
  Ag  Ag6  4  0.0000  0.1211  0.3418  1.0
  H  H7  4  0.0000  0.4470  0.4169  1.0
  Au  Au8  4  0.0000  0.1891  0.0305  1.0
]