data_[Cs4La4Pb4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.6478]
_cell_length_b [11.0706]
_cell_length_c [15.5591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsLaPbBr6]
_chemical_formula_sum '[Cs4 La4 Pb4 Br24]'
_cell_volume [1834.0622]
_cell_formula_units_Z [4]
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  0.2500  0.0680  1.0
  La  La1  4  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.2500  0.2500  0.7500  1.0
  Br  Br3  16  0.2053  0.0430  0.6221  1.0
  Br  Br4  4  0.0000  0.2500  0.4311  1.0
  Br  Br5  4  0.0000  0.2500  0.8387  1.0
]