data_image0
_chemical_formula_structural       Zr2I6
_chemical_formula_sum              "Zr2 I6"
_cell_length_a       7.1144088587764776
_cell_length_b       7.114408858776478
_cell_length_c       18.491777277789787
_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
  Zr  Zr1       1.0  0.6666666663574582  0.3333333325429382  0.5000004094309051  1.0000
  Zr  Zr2       1.0  0.3333333333544607  0.6666666667089213  0.49999958960705726  1.0000
  I   I1        1.0  0.6629589118979007  7.466006778611281e-07  0.40616083771574074  1.0000
  I   I2        1.0  0.3370418341377624  0.3370410878449731  0.40616083771574074  1.0000
  I   I3        1.0  0.9999992544877784  0.6629581664292535  0.40616083771574074  1.0000
  I   I4        1.0  0.33704029260542223  0.9999976676844041  0.5938391613222216  1.0000
  I   I5        1.0  0.6629573740841266  0.6629597066989129  0.5938391613222216  1.0000
  I   I6        1.0  2.331616772035599e-06  0.33704262486854253  0.5938391613222216  1.0000