data_image0
_chemical_formula_structural       CuSICuISCuISeS
_chemical_formula_sum              "Cu3 S3 I3 Se1"
_cell_length_a       4.560866007536028
_cell_length_b       6.438480658601249
_cell_length_c       22.652602044185784
_cell_angle_alpha    89.99999999999999
_cell_angle_beta     90.00000000000006
_cell_angle_gamma    101.7247142085268

_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  0.28479426166803806  0.3275626913563081  0.43935893194903536  1.0000
  S   S1        1.0  0.06298017401703393  0.978546478683551  0.4580692787415702  1.0000
  I   I1        1.0  0.6108325319713006  0.8853091808241429  0.6687414253978918  1.0000
  Cu  Cu2       1.0  0.8007202542737538  0.6745640782207886  0.5820780691895979  1.0000
  I   I2        1.0  0.26275195493011344  0.6972438496425543  0.38790087570780146  1.0000
  S   S2        1.0  0.19947046713740038  0.8892058600008336  0.5374411330871722  1.0000
  Cu  Cu3       1.0  0.5893253247775623  0.13628084602197338  0.5798116041760046  1.0000
  I   I3        1.0  0.4480449564108258  0.29779896705973447  0.33110524810217634  1.0000
  Se  Se1       1.0  0.05727009161496495  0.3859560602269125  0.6050714237271483  1.0000
  S   S3        1.0  0.4274999187251876  0.41355989460925974  0.5367907504083408  1.0000