data_image0
_chemical_formula_structural       Nb2I6
_chemical_formula_sum              "Nb2 I6"
_cell_length_a       7.153340604317945
_cell_length_b       7.153340604317944
_cell_length_c       18.423580422882402
_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
  Nb  Nb1       1.0  0.6666666662232852  0.33333333305019697  0.49999832977952735  1.0000
  Nb  Nb2       1.0  0.333333333050197  0.6666666661003939  0.5000016526949757  1.0000
  I   I1        1.0  0.6514839868916769  0.9999962049885279  0.4101244159151262  1.0000
  I   I2        1.0  0.34851221864179577  0.34851601333196813  0.4101244159151262  1.0000
  I   I3        1.0  3.795137957954341e-06  0.6514877808300947  0.4101244159151262  1.0000
  I   I4        1.0  0.34851497682963956  1.7320490470319474e-06  0.5898755676449421  1.0000
  I   I5        1.0  0.6514867554587391  0.6514850221424702  0.5898755676449421  1.0000
  I   I6        1.0  0.9999982669851037  0.34851324495907376  0.5898755676449421  1.0000