data_image0
_chemical_formula_structural       PbIBrClCs
_chemical_formula_sum              "Pb1 I1 Br1 Cl1 Cs1"
_cell_length_a       6.405441249767038
_cell_length_b       5.906700320066226
_cell_length_c       5.603047091139949
_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  0.04221249235223252  0.9967815440287694  0.9897859174164206  1.0000
  I   I1        1.0  0.5327048132342248  0.9950676463058816  0.9884307227928756  1.0000
  Br  Br1       1.0  0.013396437106842326  0.49604404566663535  0.988968186107663  1.0000
  Cl  Cl1       1.0  0.9783167473588996  0.9944879276726875  0.4886716558925342  1.0000
  Cs  Cs1       1.0  0.6478242618117791  0.4976084929304242  0.4905791007563081  1.0000