data_[Cs1Ag1Pb2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.8502]
_cell_length_b [7.9496]
_cell_length_c [8.3476]
_cell_angle_alpha [89.5374]
_cell_angle_beta [62.1268]
_cell_angle_gamma [60.4210]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsAg(PbBr3)2]
_chemical_formula_sum '[Cs1 Ag1 Pb2 Br6]'
_cell_volume [383.3124]
_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  0.4196  0.7870  0.3615  1.0
  Ag  Ag1  1  0.3538  0.3234  0.9649  1.0
  Pb  Pb2  1  0.9604  0.5194  0.5627  1.0
  Pb  Pb3  1  0.9911  0.0054  0.0149  1.0
  Br  Br4  1  0.0554  0.2027  0.2658  1.0
  Br  Br5  1  0.1709  0.2490  0.7680  1.0
  Br  Br6  1  0.4824  0.5967  0.7778  1.0
  Br  Br7  1  0.4831  0.3249  0.2370  1.0
  Br  Br8  1  0.8263  0.9148  0.7727  1.0
  Br  Br9  1  0.9338  0.7382  0.2595  1.0
]