data_image0
_chemical_formula_structural       CuI2
_chemical_formula_sum              "Cu1 I2"
_cell_length_a       3.8558560226073775
_cell_length_b       3.855856022607377
_cell_length_c       18.549703718471115
_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  1.6145094163321653e-19  3.050431995978452e-39  0.49999999411119667  1.0000
  I   I1        1.0  0.6666666668819144  0.3333333344400412  0.5957928400222934  1.0000
  I   I2        1.0  0.6666666668819144  0.3333333344400412  0.40420717407652407  1.0000