data_[Ba9Ag6Pd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7310]
_cell_length_b [5.7310]
_cell_length_c [27.4977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3Ag2Pd7]
_chemical_formula_sum '[Ba9 Ag6 Pd21]'
_cell_volume [782.1350]
_cell_formula_units_Z [3]
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
[
  Ba  Ba0  6  0.0000  0.0000  0.1392  1
  Ba  Ba1  3  0.0000  0.0000  0.0000  1
  Ag  Ag2  6  0.0000  0.0000  0.3330  1
  Pd  Pd3  18  0.0002  0.5001  0.0828  1
  Pd  Pd4  3  -0.0000  -0.0000  0.5000  1
]