data_[Al12Ag4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3011]
_cell_length_b [6.0137]
_cell_length_c [12.8147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al6Ag2Pd]
_chemical_formula_sum '[Al12 Ag4 Pd2]'
_cell_volume [331.4556]
_cell_formula_units_Z [2]
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
[
  Al  Al0  8  0.0000  0.2454  0.8376  1.0
  Al  Al1  4  0.0000  0.2643  0.5000  1.0
  Ag  Ag2  4  0.0000  0.0000  0.3341  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]