data_[Hg3H4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [3.3511]
_cell_length_b [3.8478]
_cell_length_c [14.9473]
_cell_angle_alpha [94.1611]
_cell_angle_beta [93.1461]
_cell_angle_gamma [114.8804]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg3(HO)4]
_chemical_formula_sum '[Hg3 H4 O4]'
_cell_volume [173.6104]
_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
[
  Hg  Hg0  2  0.2282  0.9359  0.6910  1.0
  Hg  Hg1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.1499  0.4684  0.5581  1.0
  H  H3  2  0.3036  0.4004  0.8238  1.0
  O  O4  2  0.0790  0.5308  0.4038  1.0
  O  O5  2  0.4665  0.5961  0.2143  1.0
]