data_[Cs4Hg16Au2]
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 [C2/m]
_cell_length_a [15.2294]
_cell_length_b [7.1830]
_cell_length_c [7.2166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg8Au]
_chemical_formula_sum '[Cs4 Hg16 Au2]'
_cell_volume [781.7287]
_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  0.1754  0.0000  0.3513  1
  Hg  Hg1  8  0.0959  0.2609  0.7998  1
  Hg  Hg2  4  0.0791  0.5000  0.3890  1
  Hg  Hg3  4  0.2219  0.5000  0.1119  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]