data_image0
_chemical_formula_structural       PbBrCl2Cs
_chemical_formula_sum              "Pb1 Br1 Cl2 Cs1"
_cell_length_a       5.913137618117078
_cell_length_b       5.627085014785424
_cell_length_c       5.627085014785424
_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  0.0006411010161709766  0.0001406798371810204  0.00014067983718101947  1.0000
  Br  Br1       1.0  0.5010441304538886  9.465950416139034e-06  9.465950416139385e-06  1.0000
  Cl  Cl1       1.0  0.9999659340108188  0.5003493532534093  0.9999917129858397  1.0000
  Cl  Cl2       1.0  0.9999659340108188  0.9999917129858397  0.5003493532534093  1.0000
  Cs  Cs1       1.0  0.5017664344740412  0.5004886926746137  0.5004886926746137  1.0000