data_[Ba20Hg8H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  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 [4.5993]
_cell_length_b [21.1531]
_cell_length_c [14.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Hg2HAu]
_chemical_formula_sum '[Ba20 Hg8 H4 Au4]'
_cell_volume [1455.6088]
_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  0.0311  0.9877  1.0
  Ba  Ba1  4  0.0000  0.3054  0.6934  1.0
  Ba  Ba2  4  0.0000  0.3189  0.3774  1.0
  Ba  Ba3  4  0.0000  0.3412  0.0207  1.0
  Ba  Ba4  4  0.0000  0.4944  0.2534  1.0
  Hg  Hg5  4  0.0000  0.1148  0.3419  1.0
  Hg  Hg6  4  0.0000  0.1284  0.7017  1.0
  H  H7  4  0.0000  0.4432  0.4120  1.0
  Au  Au8  4  0.0000  0.1841  0.0358  1.0
]