data_[Al8Pd4Pt4]
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 [17.4052]
_cell_length_b [3.1451]
_cell_length_c [4.3257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2PdPt]
_chemical_formula_sum '[Al8 Pd4 Pt4]'
_cell_volume [236.0040]
_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
[
  Al  Al0  4  0.0617  0.0000  0.8063  1
  Al  Al1  4  0.1850  0.0000  0.3695  1
  Pd  Pd2  4  0.1829  0.5000  0.8660  1
  Pt  Pt3  4  0.0647  0.5000  0.3143  1
]