data_[Hg2Se2O8]
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 [Pmn2_1]
_cell_length_a [6.8395]
_cell_length_b [5.0909]
_cell_length_c [5.1704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [HgSeO4]
_chemical_formula_sum '[Hg2 Se2 O8]'
_cell_volume [180.0278]
_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  0.0000  0.8603  0.0080  1.0
  Se  Se1  2  0.0000  0.3350  0.4793  1.0
  O  O2  4  0.1924  0.1839  0.3342  1.0
  O  O3  2  0.0000  0.2981  0.8001  1.0
  O  O4  2  0.0000  0.6571  0.4159  1.0
]