data_[Ag8Pd4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [5.5054]
_cell_length_b [13.5543]
_cell_length_c [12.8856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ag2PdBr5]
_chemical_formula_sum '[Ag8 Pd4 Br20]'
_cell_volume [961.5533]
_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
[
  Ag  Ag0  8  0.0000  0.1376  0.5856  1.0
  Pd  Pd1  4  0.0000  0.2045  0.2500  1.0
  Br  Br2  8  0.0000  0.0712  0.1150  1.0
  Br  Br3  8  0.0000  0.3336  0.1097  1.0
  Br  Br4  4  0.0000  0.2799  0.7500  1.0
]