data_image0
_chemical_formula_structural       I2Nb2
_chemical_formula_sum              "I2 Nb2"
_cell_length_a       3.6099164485941353
_cell_length_b       4.525955814789151
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    113.50327932366413

_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
  I   I1        1.0  0.006328881701088289  0.013356272658828276  0.38074294403735176  1.0000
  I   I2        1.0  0.3270075280063662  0.6533162871238701  0.6193384573946448  1.0000
  Nb  Nb1       1.0  0.01341957124770305  0.02644177598807024  0.532464748222696  1.0000
  Nb  Nb2       1.0  0.31991359797907193  0.6402242640512007  0.4676424855751665  1.0000