data_image0
_chemical_formula_structural       PbICl2Cs
_chemical_formula_sum              "Pb1 I1 Cl2 Cs1"
_cell_length_a       6.436517236193
_cell_length_b       5.62742972866594
_cell_length_c       5.627429728665928
_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
  Pb  Pb1       1.0  0.044448465485115524  0.9756108592501707  0.9756108592501704  1.0000
  I   I1        1.0  0.533414473213513  0.9683040507419577  0.9683040507419575  1.0000
  Cl  Cl1       1.0  0.9916227970912802  0.47471429271435395  0.978943771365399  1.0000
  Cl  Cl2       1.0  0.9916227970912798  0.9789437713653989  0.47471429271440524  1.0000
  Cs  Cs1       1.0  0.6572927395519993  0.47548913828135536  0.4754891382814126  1.0000