data_image0
_chemical_formula_structural       CuI2
_chemical_formula_sum              "Cu1 I2"
_cell_length_a       3.9430061147035316
_cell_length_b       3.943008774286625
_cell_length_c       18.83251875403109
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  1.175720308668094e-19  0.0  0.4999999874145595  1.0000
  I   I1        1.0  9.08285689646395e-21  0.5000000007244944  0.5882030165311213  1.0000
  I   I2        1.0  0.5000000006716282  0.0  0.41179695351902995  1.0000