data_[Cs4Hg2H2O2]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1742]
_cell_length_b [4.4702]
_cell_length_c [10.8946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2HgHO]
_chemical_formula_sum '[Cs4 Hg2 H2 O2]'
_cell_volume [375.4238]
_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  2  0.1887  0.2500  0.3618  1.0
  Cs  Cs1  2  0.2032  0.2500  0.9714  1.0
  Hg  Hg2  2  0.3396  0.7500  0.6971  1.0
  H  H3  2  0.2929  0.7500  0.1953  1.0
  O  O4  2  0.1660  0.7500  0.1577  1.0
]