data_image0
_chemical_formula_structural       Pb2I4
_chemical_formula_sum              "Pb2 I4"
_cell_length_a       8.304676097421634
_cell_length_b       4.545221306384342
_cell_length_c       18.78455248
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Pb1       1.0  0.0  0.9261136099999999  0.5350343764150699  1.0000
  Pb  Pb2       1.0  0.49999999999999933  0.4261136100000008  0.46496562358493004  1.0000
  I   I1        1.0  0.7525246227339724  0.4261281999999988  0.5996879952256351  1.0000
  I   I2        1.0  0.7474753772660312  0.9261282000000005  0.400312004774365  1.0000
  I   I3        1.0  0.2525246227339717  0.9261282000000005  0.400312004774365  1.0000
  I   I4        1.0  0.2474753772660293  0.4261281999999988  0.5996879952256351  1.0000