data_image0
_chemical_formula_structural       S4Cu4I4
_chemical_formula_sum              "S4 Cu4 I4"
_cell_length_a       6.389865215364612
_cell_length_b       6.695136441327904
_cell_length_c       34.552014452523785
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.99904984879717

_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
  S   S1        1.0  0.007938473394722605  0.9914825606365458  0.48122060937565686  1.0000
  S   S2        1.0  0.6071678603637033  0.49148212251229917  0.5187789546866988  1.0000
  S   S3        1.0  0.10715136617814075  0.7483144044970482  0.5187782658701312  1.0000
  S   S4        1.0  0.5079321038043907  0.2483158135461124  0.4812211343812257  1.0000
  Cu  Cu1       1.0  0.2955240765097637  0.049728128364122694  0.5207226341237481  1.0000
  Cu  Cu2       1.0  0.3195800433919065  0.5497221315878638  0.47927428870331507  1.0000
  Cu  Cu3       1.0  0.819591614065871  0.6900765408163099  0.47927678725517575  1.0000
  Cu  Cu4       1.0  0.7955233605962021  0.19007605089100563  0.5207236051235734  1.0000
  I   I1        1.0  0.5758256456555848  0.9235800533624413  0.5686366158765277  1.0000
  I   I2        1.0  0.03928289860712832  0.423582596592376  0.43136379357792637  1.0000
  I   I3        1.0  0.5392783234700441  0.8162212207449174  0.43136225850100424  1.0000
  I   I4        1.0  0.07582399762985824  0.3162182279249178  0.5686359545547389  1.0000