data_image0
_chemical_formula_structural       PbBr3Cs
_chemical_formula_sum              "Pb1 Br3 Cs1"
_cell_length_a       5.893202920411759
_cell_length_b       5.893202920411758
_cell_length_c       5.893202920411759
_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  0.0025394587824461344  0.0025394587824461314  0.002539458782446142  1.0000
  Br  Br1       1.0  0.5027835834124028  3.5173753173112586e-05  3.51737531731055e-05  1.0000
  Br  Br2       1.0  3.517375317310376e-05  0.5027835834124024  3.517375317310565e-05  1.0000
  Br  Br3       1.0  3.517375317311147e-05  3.5173753173111244e-05  0.5027835834124023  1.0000
  Cs  Cs1       1.0  0.5056689097612973  0.505668909761297  0.5056689097612969  1.0000