data_[Al2Pd28Pt2]
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 [Amm2]
_cell_length_a [9.1329]
_cell_length_b [5.5727]
_cell_length_c [9.6188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlPd14Pt]
_chemical_formula_sum '[Al2 Pd28 Pt2]'
_cell_volume [489.5518]
_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  0.5000  0.0000  0.5415  1
  Pd  Pd1  8  0.2554  0.2473  0.6240  1
  Pd  Pd2  4  0.0000  0.2493  0.4574  1
  Pd  Pd3  4  0.2488  0.0000  0.8753  1
  Pd  Pd4  4  0.2535  0.0000  0.3765  1
  Pd  Pd5  4  0.5000  0.2488  0.7944  1
  Pd  Pd6  2  0.0000  0.0000  0.2067  1
  Pd  Pd7  2  0.0000  0.0000  0.7068  1
  Pt  Pt8  2  0.5000  0.0000  0.0419  1
]