data_[Cs9Hg24Au3]
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 [R3m]
_cell_length_a [6.7806]
_cell_length_b [6.7806]
_cell_length_c [33.6220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs3Hg8Au]
_chemical_formula_sum '[Cs9 Hg24 Au3]'
_cell_volume [1338.7399]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3794  1.0
  Cs  Cs1  3  0.0000  0.0000  0.5087  1.0
  Cs  Cs2  3  0.0000  0.0000  0.9957  1.0
  Hg  Hg3  9  0.0047  0.5023  0.9405  1.0
  Hg  Hg4  9  0.1699  0.3397  0.7737  1.0
  Hg  Hg5  3  0.0000  0.0000  0.1924  1.0
  Hg  Hg6  3  0.0000  0.0000  0.6902  1.0
  Au  Au7  3  0.0000  0.0000  0.8409  1.0
]