data_[Cs3Ag2Pd1Br9]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.7708]
_cell_length_b [7.7708]
_cell_length_c [9.3678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Ag2PdBr9]
_chemical_formula_sum '[Cs3 Ag2 Pd1 Br9]'
_cell_volume [489.8960]
_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  2  0.3333  0.6667  0.3262  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.3333  0.6667  0.8306  1.0
  Pd  Pd3  1  0.0000  0.0000  0.5000  1.0
  Br  Br4  6  0.1586  0.3171  0.6581  1.0
  Br  Br5  3  0.0000  0.5000  0.0000  1.0
]