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  0.6666666666666665  0.3333333333333334  0.5000012202177385  1.0000
  Zr  Zr2       1.0  0.3333333333333336  0.6666666666666669  0.49999877847364715  1.0000
  I   I1        1.0  0.3624545378849076  0.9999962451781859  0.40080177996247646  1.0000
  I   I2        1.0  0.6375417072932776  0.6375454621150949  0.40080177996247646  1.0000
  I   I3        1.0  3.7548218125432166e-06  0.36245829270671936  0.40080177996247646  1.0000
  I   I4        1.0  0.3624563068350149  0.9999997864294732  0.5991982175000753  1.0000
  I   I5        1.0  0.637543479594458  0.6375436931649853  0.5991982175000753  1.0000
  I   I6        1.0  2.1357052667847832e-07  0.3624565204055424  0.5991982175000753  1.0000