data_[Cs4Hg20Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [11.2366]
_cell_length_b [12.7765]
_cell_length_c [6.7798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs2Hg10Au]
_chemical_formula_sum '[Cs4 Hg20 Au2]'
_cell_volume [973.3433]
_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
[
  Cs  Cs0  4  0.2441  0.5772  0.5000  1
  Hg  Hg1  8  0.0669  0.8300  0.2762  1
  Hg  Hg2  4  0.0452  0.6224  0.0000  1
  Hg  Hg3  4  0.1725  0.1933  0.0000  1
  Hg  Hg4  4  0.2323  0.4342  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]