[CIF]
data_Hg3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97491465
_cell_length_b   19.80103567
_cell_length_c   4.17364856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg3Se
_chemical_formula_sum   'Hg18 Se6'
_cell_volume   659.06739444
_cell_formula_units_Z   6
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  2.07469151  3.30352559  1.08465927  1
  Hg  Hg1  1  2.07469151  16.49751008  1.08465927  1
  Hg  Hg2  1  2.06916354  9.90051784  3.23817394  1
  Hg  Hg3  1  1.91829379  0.00000000  0.93547462  1
  Hg  Hg4  1  1.91276581  13.20404342  3.08898929  1
  Hg  Hg5  1  1.91276581  6.59699225  3.08898929  1
  Hg  Hg6  1  3.98745733  0.00000000  3.02532930  1
  Hg  Hg7  1  3.98745733  13.00528657  0.99497499  1
  Hg  Hg8  1  3.98745733  6.79574910  0.99497499  1
  Hg  Hg9  1  5.90022314  3.30352559  1.08465927  1
  Hg  Hg10  1  5.90022314  16.49751008  1.08465927  1
  Hg  Hg11  1  5.90575111  9.90051784  3.23817394  1
  Hg  Hg12  1  6.05662086  0.00000000  0.93547462  1
  Hg  Hg13  1  6.06214884  13.20404342  3.08898929  1
  Hg  Hg14  1  6.06214884  6.59699225  3.08898929  1
  Hg  Hg15  1  0.00000000  9.90051784  1.14831926  1
  Hg  Hg16  1  0.00000000  3.10476873  3.17867357  1
  Hg  Hg17  1  0.00000000  16.69626694  3.17867357  1
  Se  Se18  1  3.98745733  9.90051784  1.14225169  1
  Se  Se19  1  3.98745733  3.42897841  3.16746833  1
  Se  Se20  1  3.98745733  16.37205726  3.16746833  1
  Se  Se21  1  0.00000000  0.00000000  3.03139687  1
  Se  Se22  1  0.00000000  13.32949625  1.00618023  1
  Se  Se23  1  0.00000000  6.47153942  1.00618023  1
[/CIF]
