data_image0
_chemical_formula_structural       Cu2I6
_chemical_formula_sum              "Cu2 I6"
_cell_length_a       6.8156357601699975
_cell_length_b       6.815635760169999
_cell_length_c       18.316555786179325
_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
  Cu  Cu1       1.0  0.6666666666189315  0.33333333326280506  0.5000011670813327  1.0000
  Cu  Cu2       1.0  0.3333333332628052  0.6666666665256101  0.49999882657580863  1.0000
  I   I1        1.0  0.6379099142024883  3.993552773130708e-05  0.40952806343974085  1.0000
  I   I2        1.0  0.3621300224466122  0.3620900864536564  0.40952806343974085  1.0000
  I   I3        1.0  0.9999600646998509  0.6378699778070275  0.40952806343974085  1.0000
  I   I4        1.0  0.36213220777857086  4.433195970410284e-05  0.5904719378607587  1.0000
  I   I5        1.0  0.6379121230523761  0.6378677922974919  0.5904719378607587  1.0000
  I   I6        1.0  0.9999556675835752  0.3620878755312192  0.5904719378607587  1.0000