data_[Hg2Au30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8143]
_cell_length_b [4.0167]
_cell_length_c [34.6934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgAu15]
_chemical_formula_sum '[Hg2 Au30]'
_cell_volume [810.2373]
_cell_formula_units_Z [2]
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  2  0.1243  0.7500  0.8394  1
  Au  Au1  2  0.1226  0.7500  0.2119  1
  Au  Au2  2  0.1230  0.7500  0.3018  1
  Au  Au3  2  0.1246  0.7500  0.4780  1
  Au  Au4  2  0.1249  0.7500  0.7425  1
  Au  Au5  2  0.1251  0.7500  0.6531  1
  Au  Au6  2  0.1255  0.7500  0.3903  1
  Au  Au7  2  0.1256  0.7500  0.5656  1
  Au  Au8  2  0.3721  0.2500  0.7880  1
  Au  Au9  2  0.3728  0.2500  0.6981  1
  Au  Au10  2  0.3749  0.2500  0.3460  1
  Au  Au11  2  0.3750  0.2500  0.4342  1
  Au  Au12  2  0.3750  0.2500  0.5217  1
  Au  Au13  2  0.3750  0.2500  0.2589  1
  Au  Au14  2  0.3756  0.2500  0.1721  1
  Au  Au15  2  0.3757  0.2500  0.6097  1
]