data_[Al2Pd6Pt12]
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 [P2_1/m]
_cell_length_a [8.7624]
_cell_length_b [3.9548]
_cell_length_c [8.8569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9189]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(PdPt2)3]
_chemical_formula_sum '[Al2 Pd6 Pt12]'
_cell_volume [306.8825]
_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  2  0.0596  0.2500  0.3867  1
  Pd  Pd1  2  0.2496  0.2500  0.9888  1
  Pd  Pd2  2  0.3460  0.7500  0.7918  1
  Pd  Pd3  2  0.4487  0.2500  0.5992  1
  Pt  Pt4  2  0.0466  0.7500  0.8935  1
  Pt  Pt5  2  0.1304  0.2500  0.6814  1
  Pt  Pt6  2  0.1543  0.7500  0.1955  1
  Pt  Pt7  2  0.2324  0.7500  0.4952  1
  Pt  Pt8  2  0.3472  0.2500  0.3001  1
  Pt  Pt9  2  0.4492  0.7500  0.0977  1
]