data_image0
_chemical_formula_structural       Pt2I6
_chemical_formula_sum              "Pt2 I6"
_cell_length_a       7.552084474664289
_cell_length_b       7.552084474664291
_cell_length_c       18.47848961714012
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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
  Pt  Pt1       1.0  0.6666666668521132  0.3333333329977047  0.5000058847574771  1.0000
  Pt  Pt2       1.0  0.33333333299770473  0.6666666659954094  0.4999941126914421  1.0000
  I   I1        1.0  0.4805882430191714  1.719493776609334e-05  0.405987211911591  1.0000
  I   I2        1.0  0.5194289518942892  0.5194117570776221  0.405987211911591  1.0000
  I   I3        1.0  0.9999828057008486  0.48057104850670845  0.405987211911591  1.0000
  I   I4        1.0  0.48057142294186306  0.9999835680245267  0.5940127914901957  1.0000
  I   I5        1.0  0.519412145183862  0.5194285774146632  0.5940127914901957  1.0000
  I   I6        1.0  1.6432488584037795e-05  0.48058785508290663  0.5940127914901957  1.0000