data_[Cs8Hg10Au6]
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 [12.1164]
_cell_length_b [5.6268]
_cell_length_c [13.7260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4Hg5Au3]
_chemical_formula_sum '[Cs8 Hg10 Au6]'
_cell_volume [935.0069]
_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  0.0766  0.0000  0.8205  1.0
  Cs  Cs1  4  0.2358  0.0000  0.3636  1.0
  Hg  Hg2  4  0.0975  0.5000  0.0856  1.0
  Hg  Hg3  4  0.2281  0.0000  0.0786  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
  Au  Au5  4  0.0685  0.5000  0.2960  1.0
  Au  Au6  2  0.0000  0.0000  0.5000  1.0
]