data_[Cs16Hg4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4528]
_cell_length_b [8.0934]
_cell_length_c [13.1906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8Hg2O]
_chemical_formula_sum '[Cs16 Hg4 O2]'
_cell_volume [1726.4509]
_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  0.0270  0.0000  0.6929  1.0
  Cs  Cs1  4  0.0594  0.5000  0.2294  1.0
  Cs  Cs2  4  0.1601  0.5000  0.0372  1.0
  Cs  Cs3  4  0.2063  0.5000  0.6285  1.0
  Hg  Hg4  4  0.1965  0.0000  0.5960  1.0
  O  O5  2  0.0000  0.5000  0.0000  1.0
]