data_image0
_chemical_formula_structural       ZrI2ZrI2
_chemical_formula_sum              "Zr2 I4"
_cell_length_a       7.872330495554527
_cell_length_b       3.769254230217075
_cell_length_c       19.00109963326653
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    118.6005393670659

_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
  Zr  Zr1       1.0  0.06269762584446617  0.06269599432180385  0.4973840484186378  1.0000
  I   I1        1.0  0.3314515363899335  0.33171253045240195  0.6158426415233912  1.0000
  I   I2        1.0  0.16855087536715677  0.6683003836055212  0.3841587240151287  1.0000
  Zr  Zr2       1.0  0.43730321661112553  0.9373044874957963  0.5026178449840686  1.0000
  I   I3        1.0  0.8295567445579447  0.3298167187961409  0.5861929838260199  1.0000
  I   I4        1.0  0.6704420633286502  0.6701717428410658  0.41380838065992936  1.0000