data_[Ag4Pd4Br20]
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 [C2/c]
_cell_length_a [11.1462]
_cell_length_b [7.9846]
_cell_length_c [9.7763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgPdBr5]
_chemical_formula_sum '[Ag4 Pd4 Br20]'
_cell_volume [800.1626]
_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  4  0.0000  0.4757  0.2500  1.0
  Pd  Pd1  4  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0758  0.2908  0.9787  1.0
  Br  Br3  8  0.2318  0.0972  0.6400  1.0
  Br  Br4  4  0.0000  0.1173  0.2500  1.0
]