data_[Cs1Al1Pb2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7479]
_cell_length_b [9.4916]
_cell_length_c [6.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsAl(PbBr4)2]
_chemical_formula_sum '[Cs1 Al1 Pb2 Br8]'
_cell_volume [443.5208]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.5000  0.2357  0.5000  1
  Br  Br3  4  0.2217  0.1873  0.1450  1
  Br  Br4  2  0.2240  0.0000  0.6905  1
  Br  Br5  2  0.2576  0.5000  0.5730  1
]