data_[Cd36Ag21Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.5235]
_cell_length_b [12.5235]
_cell_length_c [9.2739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd12Ag7Pd]
_chemical_formula_sum '[Cd36 Ag21 Pd3]'
_cell_volume [1259.6283]
_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
[
  Cd  Cd0  18  0.0214  0.2388  0.9342  1.0
  Cd  Cd1  18  0.0700  0.5914  0.1287  1.0
  Ag  Ag2  18  0.0041  0.8607  0.7542  1.0
  Ag  Ag3  3  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  3  0.0000  0.0000  0.0000  1.0
]