data_[Cs18Pd6Br36]
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 [R-3]
_cell_length_a [13.7265]
_cell_length_b [13.7265]
_cell_length_c [16.8284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs3PdBr6]
_chemical_formula_sum '[Cs18 Pd6 Br36]'
_cell_volume [2745.9544]
_cell_formula_units_Z [6]
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  18  0.0493  0.2701  0.7097  1
  Pd  Pd1  3  0.0000  0.0000  0.0000  1
  Pd  Pd2  3  0.0000  0.0000  0.5000  1
  Br  Br3  18  0.0011  0.1554  0.9106  1
  Br  Br4  18  0.0322  0.1695  0.4113  1
]