data_[Cs8Hg8O12]
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 [Pnma]
_cell_length_a [13.2690]
_cell_length_b [6.7045]
_cell_length_c [8.5553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs2Hg2O3]
_chemical_formula_sum '[Cs8 Hg8 O12]'
_cell_volume [761.0907]
_cell_formula_units_Z [4]
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  0.0746  0.7500  0.1401  1
  Cs  Cs1  4  0.1220  0.2500  0.4585  1
  Hg  Hg2  4  0.1462  0.7500  0.6905  1
  Hg  Hg3  4  0.1940  0.2500  0.8855  1
  O  O4  8  0.1806  0.5488  0.8949  1
  O  O5  4  0.1043  0.7500  0.4612  1
]