data_[Cs8Pd8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.0576]
_cell_length_b [16.6041]
_cell_length_c [9.5762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [CsPdBr3]
_chemical_formula_sum '[Cs8 Pd8 Br24]'
_cell_volume [1599.2071]
_cell_formula_units_Z [8]
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  8  0.0273  0.2754  0.0000  1.0
  Pd  Pd1  8  0.2451  0.0000  0.2500  1.0
  Br  Br2  16  0.2490  0.3521  0.2937  1.0
  Br  Br3  8  0.2161  0.0408  0.5000  1.0
]