data_[Cs12Hg2Au2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.7454]
_cell_length_b [8.7454]
_cell_length_c [16.7652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [Cs6HgAuO]
_chemical_formula_sum '[Cs12 Hg2 Au2 O2]'
_cell_volume [1110.4511]
_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  12  0.0540  0.3951  0.1463  1.0
  Hg  Hg1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  2  0.3333  0.6667  0.7500  1.0
  O  O3  2  0.3333  0.6667  0.2500  1.0
]