data_[Ag16Pd4Br24]
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 [Cc]
_cell_length_a [13.7603]
_cell_length_b [7.8524]
_cell_length_c [12.6696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ag4PdBr6]
_chemical_formula_sum '[Ag16 Pd4 Br24]'
_cell_volume [1357.9205]
_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  0.0174  0.2416  0.7253  1
  Ag  Ag1  4  0.1764  0.0743  0.2065  1
  Ag  Ag2  4  0.3135  0.3636  0.7036  1
  Ag  Ag3  4  0.3236  0.3970  0.9360  1
  Pd  Pd4  4  0.0694  0.2433  0.3811  1
  Br  Br5  4  0.0132  0.2481  0.1856  1
  Br  Br6  4  0.1305  0.4634  0.8664  1
  Br  Br7  4  0.1422  0.2336  0.5721  1
  Br  Br8  4  0.3127  0.0860  0.8289  1
  Br  Br9  4  0.3254  0.3125  0.1438  1
  Br  Br10  4  0.4960  0.4584  0.4049  1
]