data_image0
_chemical_formula_structural       Cu4I6
_chemical_formula_sum              "Cu4 I6"
_cell_length_a       7.528139552733548
_cell_length_b       6.7409706350867475
_cell_length_c       19.56619748
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.99999780109574

_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  0.2500000003223406  0.6604213162865663  0.4418357480464314  1.0000
  Cu  Cu2       1.0  0.7500000101034076  0.6604213162489082  0.5581642718859036  1.0000
  Cu  Cu3       1.0  0.9999999903371648  0.2877972779460637  0.4999999897782898  1.0000
  Cu  Cu4       1.0  0.5000000097797861  0.2877972883679806  0.5  1.0000
  I   I1        1.0  0.5032220511681895  0.4408302511322141  0.6170993762248381  1.0000
  I   I2        1.0  0.4967779477266686  0.44083017156087945  0.3829006237751619  1.0000
  I   I3        1.0  0.0032220613123639164  0.44083024078560923  0.38290061406453724  1.0000
  I   I4        1.0  0.9967779389108439  0.44083019080827945  0.6170993762248381  1.0000
  I   I5        1.0  0.9999999998406907  0.8996988858596264  0.5  1.0000
  I   I6        1.0  0.5000000096217572  0.8996988754377071  0.5  1.0000