data_[Cs6Pb4I4Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0182]
_cell_length_b [6.0182]
_cell_length_c [31.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3Pb2I2Br5]
_chemical_formula_sum '[Cs6 Pb4 I4 Br10]'
_cell_volume [1133.6290]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1757  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.0000  0.0000  0.4025  1.0
  I  I3  4  0.0000  0.0000  0.3004  1.0
  Br  Br4  8  0.0000  0.5000  0.0937  1.0
  Br  Br5  2  0.0000  0.0000  0.5000  1.0
]