# generated using pymatgen
data_HgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58509138
_cell_length_b   5.56420636
_cell_length_c   6.69606078
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgO
_chemical_formula_sum   'Hg4 O4'
_cell_volume   133.57428102
_cell_formula_units_Z   4
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  0.74615555  0.75000000  0.38497903  1.0
  Hg  Hg1  1  0.24615555  0.25000000  0.11501997  1.0
  Hg  Hg2  1  0.25384445  0.25000000  0.61502097  1.0
  Hg  Hg3  1  0.75384445  0.75000000  0.88497903  1.0
  O  O4  1  0.08245941  0.75000000  0.13685368  1.0
  O  O5  1  0.58245941  0.25000000  0.36314632  1.0
  O  O6  1  0.91754059  0.25000000  0.86314632  1.0
  O  O7  1  0.41754059  0.75000000  0.63685368  1.0