data_[Cs1Sn2Pb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3202]
_cell_length_b [7.4032]
_cell_length_c [9.9365]
_cell_angle_alpha [79.2401]
_cell_angle_beta [81.6714]
_cell_angle_gamma [82.0767]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSn2PbBr8]
_chemical_formula_sum '[Cs1 Sn2 Pb1 Br8]'
_cell_volume [520.0244]
_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  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4698  0.4531  0.7407  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1638  0.7197  0.2312  1.0
  Br  Br4  2  0.2151  0.7719  0.8002  1.0
  Br  Br5  2  0.3194  0.2336  0.9716  1.0
  Br  Br6  2  0.3762  0.2838  0.5424  1.0
]