# generated using pymatgen
data_Hg3SeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42760300
_cell_length_b   7.55450167
_cell_length_c   10.11900243
_cell_angle_alpha   89.79004550
_cell_angle_beta   90.63448473
_cell_angle_gamma   119.18425246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3SeO6
_chemical_formula_sum   'Hg9 Se3 O18'
_cell_volume   495.68626357
_cell_formula_units_Z   3
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  0.65067500  0.00550900  0.65817800  1.0
  Hg  Hg1  1  0.80872400  0.32861500  0.95978200  1.0
  Hg  Hg2  1  0.95160900  0.62555500  0.29769600  1.0
  Hg  Hg3  1  0.64034700  0.48395000  0.64746800  1.0
  Hg  Hg4  1  0.47363500  0.13820200  0.29951700  1.0
  Hg  Hg5  1  0.44586600  0.62578000  0.34389000  1.0
  Hg  Hg6  1  0.29901400  0.29732000  0.00732100  1.0
  Hg  Hg7  1  0.24576600  0.57403400  0.73882800  1.0
  Hg  Hg8  1  0.34366900  0.82446800  0.02676700  1.0
  Se  Se9  1  0.95334200  0.10687000  0.33030100  1.0
  Se  Se10  1  0.78409200  0.80572000  0.99356700  1.0
  Se  Se11  1  0.14713200  0.10073600  0.60270200  1.0
  O  O12  1  0.86143900  0.25665400  0.26938100  1.0
  O  O13  1  0.76800100  0.30181400  0.72222000  1.0
  O  O14  1  0.64687400  0.57517200  0.92152200  1.0
  O  O15  1  0.63483100  0.47714600  0.35304700  1.0
  O  O16  1  0.49160200  0.15714700  0.04778000  1.0
  O  O17  1  0.37490000  0.13075800  0.54579800  1.0
  O  O18  1  0.69372600  0.80762200  0.14508900  1.0
  O  O19  1  0.53949200  0.70390600  0.59441900  1.0
  O  O20  1  0.15812500  0.15358800  0.23398300  1.0
  O  O21  1  0.21953000  0.25885400  0.73581600  1.0
  O  O22  1  0.10191200  0.26378400  0.47660700  1.0
  O  O23  1  0.16453600  0.49627400  0.96398700  1.0
  O  O24  1  0.28303700  0.78398500  0.26844000  1.0
  O  O25  1  0.74391800  0.97158900  0.90251200  1.0
  O  O26  1  0.10135200  0.59873400  0.52792400  1.0
  O  O27  1  0.08881500  0.77312600  0.71130600  1.0
  O  O28  1  0.03124800  0.72145500  0.57660300  1.0
  O  O29  1  0.03079200  0.86663100  0.99984900  1.0