data_image0
_chemical_formula_structural       I6Nb2
_chemical_formula_sum              "I6 Nb2"
_cell_length_a       7.448930000259432
_cell_length_b       7.448949086020525
_cell_length_c       6.755201001236454
_cell_angle_alpha    89.9987973927508
_cell_angle_beta     89.99904733928513
_cell_angle_gamma    119.99972523446715

_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  1.0235871295381062e-17  0.3065465445  0.2500052028  1.0000
  I   I2        1.0  0.3065489744  0.0  0.250006521  1.0000
  I   I3        1.0  0.6934528361  0.6934535602000002  0.25002428550000005  1.0000
  I   I4        1.0  0.3065468385999999  0.30654659480000007  0.7499758625000001  1.0000
  I   I5        1.0  0.6934520427999998  0.0  0.7499936270000002  1.0000
  I   I6        1.0  0.0  0.6934536105  0.7499949452000001  1.0000
  Nb  Nb1       1.0  0.0  0.0  0.0  1.0000
  Nb  Nb2       1.0  0.0  0.0  0.49999992600000004  1.0000