data_[Al16Pd4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4646]
_cell_length_b [9.8668]
_cell_length_c [4.4796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al8Pd2Pt]
_chemical_formula_sum '[Al16 Pd4 Pt2]'
_cell_volume [362.8692]
_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  0.2291  0.3503  0.2334  1
  Al  Al1  4  0.0000  0.1425  0.0000  1
  Al  Al2  4  0.1595  0.5000  0.7052  1
  Pd  Pd3  4  0.0000  0.2855  0.5000  1
  Pt  Pt4  2  0.0000  0.0000  0.5000  1
]