data_[Cs4Hg16Au6]
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 [19.5345]
_cell_length_b [7.8485]
_cell_length_c [5.4188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg8Au3]
_chemical_formula_sum '[Cs4 Hg16 Au6]'
_cell_volume [822.0469]
_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  0.1810  0.0000  0.2373  1
  Hg  Hg1  8  0.1131  0.2717  0.7006  1
  Hg  Hg2  4  0.0350  0.5000  0.2633  1
  Hg  Hg3  4  0.1875  0.5000  0.1927  1
  Au  Au4  4  0.0000  0.1738  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]