data_[Hg1H2C2O6]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1368]
_cell_length_b [5.0769]
_cell_length_c [6.9302]
_cell_angle_alpha [81.0412]
_cell_angle_beta [83.9170]
_cell_angle_gamma [69.2059]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgH2(CO3)2]
_chemical_formula_sum '[Hg1 H2 C2 O6]'
_cell_volume [134.2065]
_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  1  0.5000  0.5000  0.0000  1.0
  H  H1  2  0.2544  0.8135  0.4995  1.0
  C  C2  2  0.0018  0.1550  0.7312  1.0
  O  O3  2  0.0047  0.7309  0.1100  1.0
  O  O4  2  0.2505  0.9383  0.6902  1.0
  O  O5  2  0.2662  0.7143  0.3785  1.0
]