data_image0
_chemical_formula_structural       Pt2I6
_chemical_formula_sum              "Pt2 I6"
_cell_length_a       7.133390935781335
_cell_length_b       7.133390935781337
_cell_length_c       18.103085711496885
_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  0.666666667083438  0.33333333357547934  0.5000061555390796  1.0000
  Pt  Pt2       1.0  0.3333333335754794  0.6666666671509587  0.49999384382584167  1.0000
  I   I1        1.0  0.6386573705880393  0.9999916781296283  0.4140345093344994  1.0000
  I   I2        1.0  0.3613343086300943  0.36134263033421304  0.4140345093344994  1.0000
  I   I3        1.0  8.32144078376413e-06  0.6386656922625965  0.4140345093344994  1.0000
  I   I4        1.0  0.3613426300033575  8.321870371678274e-06  0.5859654905828139  1.0000
  I   I5        1.0  0.63866569121946  0.6386573687734989  0.5859654905828139  1.0000
  I   I6        1.0  0.999991677224879  0.36133430846384135  0.5859654905828139  1.0000