data_image0
_chemical_formula_structural       I2TiINTi2I5
_chemical_formula_sum              "I8 Ti3 N1"
_cell_length_a       21.029513495701767
_cell_length_b       20.858590050638117
_cell_length_c       7.440165465665374
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  0.4474446688039959  0.4377009552205877  0.9849156734633296  1.0000
  I   I2        1.0  0.5608444174913543  0.5711240362444016  0.7777824230469167  1.0000
  Ti  Ti1       1.0  0.5192439794314115  0.5303755975192053  0.15906117725569702  1.0000
  I   I3        1.0  0.5808970992368171  0.3913372864770295  0.6501391041740697  1.0000
  N   N1        1.0  0.501116481836454  0.5002446771424565  0.39925611316733794  1.0000
  Ti  Ti2       1.0  0.4555350459668177  0.4728967340723329  0.6073068736384487  1.0000
  Ti  Ti3       1.0  0.5870158600597332  0.5011281955885376  0.46421778710599026  1.0000
  I   I4        1.0  0.6166227093987561  0.6152497919276948  0.2965711854054416  1.0000
  I   I5        1.0  0.43669855341903024  0.6242954945708311  0.14488842929627116  1.0000
  I   I6        1.0  0.3713966879777271  0.5622595869076532  0.6260464002431293  1.0000
  I   I7        1.0  0.6296637191575932  0.44349062321739463  0.15685864851251013  1.0000
  I   I8        1.0  0.3923084796145513  0.37436193997666445  0.49629938949245855  1.0000