data_image0
_chemical_formula_structural       I2Cu2
_chemical_formula_sum              "I2 Cu2"
_cell_length_a       4.114941111817358
_cell_length_b       4.114941111817358
_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
  I   I1        1.0  3.2695282860727676e-20  1.0043489881622821e-39  0.5913605139841517  1.0000
  I   I2        1.0  0.50000000099426  0.50000000099426  0.40863940455934705  1.0000
  Cu  Cu1       1.0  0.50000000099426  1.535923384479777e-20  0.4999999582097565  1.0000
  Cu  Cu2       1.0  0.0  0.50000000099426  0.4999999582097565  1.0000