data_image0
_chemical_formula_structural       I4CuSeISIAsCuI
_chemical_formula_sum              "I7 Cu2 Se1 S1 As1"
_cell_length_a       23.077968455929987
_cell_length_b       19.231948171529012
_cell_length_c       7.354597787274458
_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  0.6415489068439938  0.56472601753028  0.14469550819327304  1.0000
  I   I2        1.0  0.45481008701528497  0.3752412086808162  0.9064619560428441  1.0000
  I   I3        1.0  0.3180570702481313  0.6268663788569814  0.901655760070939  1.0000
  I   I4        1.0  0.48540834001893446  0.6018093980107775  0.5439941807758404  1.0000
  Cu  Cu1       1.0  0.4472135886385452  0.5039340695408491  0.7521245789564218  1.0000
  Se  Se1       1.0  0.5211758342966613  0.4146111053328044  0.23255156121274406  1.0000
  I   I5        1.0  0.3768955826657071  0.44452722138468753  0.5201699439266295  1.0000
  S   S1        1.0  0.48519796099935303  0.5577038751528137  0.0005280418147746158  1.0000
  I   I6        1.0  0.3378415912550568  0.5471706573954949  0.21569845128356951  1.0000
  As  As1       1.0  0.5653095838618015  0.48898767028755824  0.9795871023672101  1.0000
  Cu  Cu2       1.0  0.45235199195778125  0.5145029549604142  0.2782457232036175  1.0000
  I   I7        1.0  0.5943712324765641  0.4207550317504855  0.5087364033773752  1.0000