data_[Cs2Hg5H4]
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 [P-1]
_cell_length_a [5.9148]
_cell_length_b [7.1472]
_cell_length_c [7.5146]
_cell_angle_alpha [94.2351]
_cell_angle_beta [106.4673]
_cell_angle_gamma [94.4925]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2Hg5H4]
_chemical_formula_sum '[Cs2 Hg5 H4]'
_cell_volume [302.1738]
_cell_formula_units_Z [1]
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  0.3500  0.2643  0.1367  1
  Hg  Hg1  2  0.2294  0.1254  0.6044  1
  Hg  Hg2  2  0.2539  0.7911  0.3178  1
  Hg  Hg3  1  0.0000  0.5000  0.5000  1
  H  H4  2  0.0786  0.6054  0.7205  1
  H  H5  2  0.2066  0.8031  0.0587  1
]