data_image0
_chemical_formula_structural       Cu2I6
_chemical_formula_sum              "Cu2 I6"
_cell_length_a       7.318980801116019
_cell_length_b       7.31898080111602
_cell_length_c       18.582533804778418
_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
  Cu  Cu1       1.0  0.6666666667593145  0.3333333336711116  0.5000003518148203  1.0000
  Cu  Cu2       1.0  0.33333333367111173  0.6666666673422232  0.4999996479280341  1.0000
  I   I1        1.0  0.4756148595513029  5.726976293855648e-07  0.40386194363172256  1.0000
  I   I2        1.0  0.5243857150698531  0.5243851413527787  0.40386194363172256  1.0000
  I   I3        1.0  0.9999994263867411  0.47561428538524747  0.40386194363172256  1.0000
  I   I4        1.0  0.4756142655550013  0.9999993847050263  0.5961380561111318  1.0000
  I   I5        1.0  0.5243851194728558  0.5243857345602405  0.5961380561111318  1.0000
  I   I6        1.0  6.14613729452545e-07  0.4756148801703887  0.5961380561111318  1.0000