data_[Cs2Hg12H6]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6926]
_cell_length_b [6.6503]
_cell_length_c [10.7682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs(Hg2H)3]
_chemical_formula_sum '[Cs2 Hg12 H6]'
_cell_volume [497.2125]
_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  0.0000  0.0000  0.0000  1
  Hg  Hg1  4  0.0464  0.0010  0.3711  1
  Hg  Hg2  4  0.3951  0.1062  0.7131  1
  Hg  Hg3  4  0.4131  0.7206  0.9771  1
  H  H4  4  0.0178  0.2354  0.2632  1
  H  H5  2  0.5000  0.0000  0.0000  1
]