data_[Hg2Se2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2202]
_cell_length_b [5.7814]
_cell_length_c [6.9976]
_cell_angle_alpha [68.5931]
_cell_angle_beta [72.5846]
_cell_angle_gamma [69.4031]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgSeO3]
_chemical_formula_sum '[Hg2 Se2 O6]'
_cell_volume [180.4775]
_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
[
  Hg  Hg0  2  0.4098  0.3597  0.8530  1.0
  Se  Se1  2  0.2065  0.2453  0.3674  1.0
  O  O2  2  0.0514  0.5517  0.2327  1.0
  O  O3  2  0.3326  0.0961  0.1652  1.0
  O  O4  2  0.4963  0.7003  0.6097  1.0
]