# generated using pymatgen
data_HgI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04730502
_cell_length_b   9.04730502
_cell_length_c   9.04730502
_cell_angle_alpha   151.10122458
_cell_angle_beta   151.10122458
_cell_angle_gamma   41.32728803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgI3
_chemical_formula_sum   'Hg1 I3'
_cell_volume   172.57051054
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  I  I1  1  0.75000000  0.25000000  0.50000000  1.0
  I  I2  1  0.25000000  0.75000000  0.50000000  1.0
  I  I3  1  0.50000000  0.50000000  0.00000000  1.0