data_[Hg24H8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [12.1635]
_cell_length_b [11.2525]
_cell_length_c [8.4834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.5201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg6H2Au]
_chemical_formula_sum '[Hg24 H8 Au4]'
_cell_volume [855.7932]
_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
[
  Hg  Hg0  8  0.0547  0.1093  0.9689  1
  Hg  Hg1  8  0.1244  0.3331  0.7375  1
  Hg  Hg2  8  0.1785  0.3423  0.3549  1
  H  H3  8  0.1107  0.5253  0.7116  1
  Au  Au4  4  0.0000  0.1247  0.2500  1
]