data_image0
_chemical_formula_structural       SeAgICuSI
_chemical_formula_sum              "Se1 Ag1 I2 Cu1 S1"
_cell_length_a       3.859452789699548
_cell_length_b       4.979571054840658
_cell_length_c       21.647694208912487
_cell_angle_alpha    89.99999999999999
_cell_angle_beta     90.00000000000001
_cell_angle_gamma    113.00559781865151

_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
  Se  Se1       1.0  0.3892138713960203  0.7843052767193568  0.48866128225540123  1.0000
  Ag  Ag1       1.0  0.8397326218776932  0.6851719070528988  0.4044959008333985  1.0000
  I   I1        1.0  0.1570096292582291  0.32033420106228033  0.3464432224339315  1.0000
  Cu  Cu1       1.0  0.19267921934806878  0.3939314954221551  0.5826226335369881  1.0000
  S   S1        1.0  0.6021696242936717  0.21227440484289659  0.5317245813302838  1.0000
  I   I2        1.0  0.8053520414409221  0.6194925185322202  0.6533030397379433  1.0000