data_image0
_chemical_formula_structural       SePCl2SeP
_chemical_formula_sum              "Se2 P2 Cl2"
_cell_length_a       19.481616171510257
_cell_length_b       19.38213584600097
_cell_length_c       5.626995460140139
_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
  Se  Se1       1.0  0.5867644270082033  0.4603682490315516  0.06479835828820016  1.0000
  P   P1        1.0  0.5795924944114422  0.48890049103130456  0.46067773562021624  1.0000
  Cl  Cl1       1.0  0.5272740741265148  0.5826107434679781  0.46977061580512425  1.0000
  Cl  Cl2       1.0  0.4197026731536658  0.5186101024957679  0.9693105914246876  1.0000
  Se  Se2       1.0  0.49792652346477584  0.407571787927232  0.5645097625523442  1.0000
  P   P2        1.0  0.47648329028625924  0.4275536373773563  0.9604224830578691  1.0000