# generated using pymatgen
data_HgF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65895312
_cell_length_b   3.65895277
_cell_length_c   6.09874901
_cell_angle_alpha   107.45615918
_cell_angle_beta   107.45615825
_cell_angle_gamma   89.99998979
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgF
_chemical_formula_sum   'Hg2 F2'
_cell_volume   73.93821923
_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  1  0.88451595  0.88451595  0.76903191  1.0
  Hg  Hg1  1  0.11548405  0.11548405  0.23096809  1.0
  F  F2  1  0.68815130  0.68815130  0.37630360  1.0
  F  F3  1  0.31184870  0.31184870  0.62369640  1.0