data_image0
_chemical_formula_structural       PbI2ClCs
_chemical_formula_sum              "Pb1 I2 Cl1 Cs1"
_cell_length_a       6.316508470393937
_cell_length_b       6.316508470393937
_cell_length_c       5.591417221380014
_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  0.016736344837829993  0.01673634483783002  0.9870676062805259  1.0000
  I   I1        1.0  0.5133975595076538  0.005265811639989369  0.9974200563534846  1.0000
  I   I2        1.0  0.0052658116399893415  0.5133975595076552  0.9974200563534845  1.0000
  Cl  Cl1       1.0  0.9968658803622783  0.9968658803622783  0.4901644273148651  1.0000
  Cs  Cs1       1.0  0.5356191636460499  0.5356191636460507  0.4790156551808365  1.0000