data_image0
_chemical_formula_structural       PbIBr2Cs
_chemical_formula_sum              "Pb1 I1 Br2 Cs1"
_cell_length_a       6.409309595372093
_cell_length_b       5.870260790724922
_cell_length_c       5.870260790724926
_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  0.053587909562195404  0.00032102612252583434  0.0003210261225258871  1.0000
  I   I1        1.0  0.5403687035360931  0.0035438944036951816  0.003543894403695079  1.0000
  Br  Br1       1.0  0.9936658152966753  0.5004071960134964  0.9986088804965105  1.0000
  Br  Br2       1.0  0.9936658152966754  0.9986088804965105  0.5004071960135023  1.0000
  Cs  Cs1       1.0  0.636688450028882  0.4992905253684847  0.49929052536849206  1.0000