data_image0
_chemical_formula_structural       Ag2Se2I2
_chemical_formula_sum              "Ag2 Se2 I2"
_cell_length_a       3.3801547772273586
_cell_length_b       4.414760622126194
_cell_length_c       21.341805962036666
_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
  Ag  Ag1       1.0  0.5000000004101353  0.0  0.3850637356847074  1.0000
  Ag  Ag2       1.0  0.0  0.49999999975919485  0.6149372824092333  1.0000
  Se  Se1       1.0  0.5000000004101353  0.49999999975919485  0.5120204962709344  1.0000
  Se  Se2       1.0  0.0  1.9944394834589614e-36  0.487982138837052  1.0000
  I   I1        1.0  0.5000000004101353  0.49999999975919485  0.3002504559079259  1.0000
  I   I2        1.0  0.0  2.8599539362938298e-36  0.6997487015187371  1.0000