data_image0
_chemical_formula_structural       Zr2I6
_chemical_formula_sum              "Zr2 I6"
_cell_length_a       7.099507252251915
_cell_length_b       7.099507252251915
_cell_length_c       18.707406450231893
_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  0.6666666670821736  0.33333333307299184  0.5000012200987943  1.0000
  Zr  Zr2       1.0  0.3333333330729919  0.6666666661459837  0.49999877828516703  1.0000
  I   I1        1.0  0.3624545376957066  0.9999962445231079  0.400801779762852  1.0000
  I   I2        1.0  0.6375417075466189  0.6375454622213227  0.400801779762852  1.0000
  I   I3        1.0  3.7549128399777466e-06  0.3624582924745449  0.400801779762852  1.0000
  I   I4        1.0  0.3624563074930202  0.999999786934832  0.599198217552014  1.0000
  I   I5        1.0  0.6375434792793074  0.6375436926419124  0.599198217552014  1.0000
  I   I6        1.0  2.1338283787584497e-07  0.36245651964223125  0.599198217552014  1.0000