# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61784276
_cell_length_b   4.61784318
_cell_length_c   14.55122959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbI2
_chemical_formula_sum   'Pb2 I4'
_cell_volume   268.72536389
_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
  Pb  Pb0  1  0.66666700  0.33333300  0.50010071  1.0
  Pb  Pb1  1  0.33333300  0.66666700  1.00010071  1.0
  I  I2  1  0.66666700  0.33333300  0.87135195  1.0
  I  I3  1  0.00000000  -0.00000000  0.12854834  1.0
  I  I4  1  -0.00000000  0.00000000  0.62854834  1.0
  I  I5  1  0.33333300  0.66666700  0.37135195  1.0