# generated using pymatgen
data_HgI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07044117
_cell_length_b   5.07044047
_cell_length_c   6.88874723
_cell_angle_alpha   111.55174889
_cell_angle_beta   111.55175722
_cell_angle_gamma   90.02089924
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgI
_chemical_formula_sum   'Hg2 I2'
_cell_volume   151.32114782
_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  0.88843798  0.88843798  0.77664109  1.0
  Hg  Hg1  1  0.11156202  0.11156202  0.22335891  1.0
  I  I2  1  0.65477992  0.65477992  0.30860253  1.0
  I  I3  1  0.34522008  0.34522008  0.69139747  1.0