data_[Al4Pd16Pt2]
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 [13.8363]
_cell_length_b [4.0322]
_cell_length_c [6.3238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Pd8Pt]
_chemical_formula_sum '[Al4 Pd16 Pt2]'
_cell_volume [332.6455]
_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  4  0.2180  0.0000  0.6579  1.0
  Pd  Pd1  4  0.0428  0.0000  0.7313  1.0
  Pd  Pd2  4  0.1053  0.5000  0.4651  1.0
  Pd  Pd3  4  0.1528  0.0000  0.2156  1.0
  Pd  Pd4  4  0.1788  0.5000  0.9243  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]