data_image0
_chemical_formula_structural       I3Cu2
_chemical_formula_sum              "I3 Cu2"
_cell_length_a       6.239660210450412
_cell_length_b       4.155587668968335
_cell_length_c       19.03015729
_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  0.4353968627089538  0.6039403785754001  0.6062846640822485  1.0000
  I   I2        1.0  0.4353968627089538  0.34049904194447694  0.39371533591775165  1.0000
  I   I3        1.0  0.9236980437407432  0.9722197103840684  0.49999999973725917  1.0000
  Cu  Cu1       1.0  0.18474318330176978  0.4722197090567392  0.49999999973725917  1.0000
  Cu  Cu2       1.0  0.48545622162674534  0.9722197103840684  0.49999999973725917  1.0000