data_image0
_chemical_formula_structural       CuI2CuI2
_chemical_formula_sum              "Cu2 I4"
_cell_length_a       4.106019475066892
_cell_length_b       6.6379351051478785
_cell_length_c       18.210146307654696
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.00000000000001

_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  9.514053437421655e-19  0.9998318121550881  0.49984807349811433  1.0000
  I   I1        1.0  0.5000000006007165  0.18337194484712926  0.5885486063060811  1.0000
  I   I2        1.0  7.192410237389274e-17  0.31662565492242456  0.4114515700980647  1.0000
  Cu  Cu2       1.0  0.5000000006007166  0.5001888369509802  0.5001379410209129  1.0000
  I   I3        1.0  1.2014331751686314e-09  0.6833284399665656  0.5885306124912889  1.0000
  I   I4        1.0  0.5000000006007167  0.8166479099495858  0.4114857153481629  1.0000