# generated using pymatgen
data_HgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42071849
_cell_length_b   4.42071849
_cell_length_c   9.90160453
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSe
_chemical_formula_sum   'Hg3 Se3'
_cell_volume   167.57990030
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Hg2+  2.0
  Se2-  -2.0
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
  Hg2+  Hg0  1  0.72148553  0.72148553  0.00000000  1
  Hg2+  Hg1  1  0.27851447  0.00000000  0.66666667  1
  Hg2+  Hg2  1  0.00000000  0.27851447  0.33333333  1
  Se2-  Se3  1  0.49366610  0.49366610  0.50000000  1
  Se2-  Se4  1  0.50633390  0.00000000  0.16666667  1
  Se2-  Se5  1  0.00000000  0.50633390  0.83333333  1