data_[Al2Pd2Pt28]
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 [9.2746]
_cell_length_b [5.5590]
_cell_length_c [9.6510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlPdPt14]
_chemical_formula_sum '[Al2 Pd2 Pt28]'
_cell_volume [497.5816]
_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  0.4584  1
  Pd  Pd1  2  0.5000  0.0000  0.9626  1
  Pt  Pt2  8  0.2553  0.2483  0.3755  1
  Pt  Pt3  4  0.0000  0.2492  0.5393  1
  Pt  Pt4  4  0.2497  0.0000  0.1250  1
  Pt  Pt5  4  0.2580  0.0000  0.6229  1
  Pt  Pt6  4  0.5000  0.2477  0.2117  1
  Pt  Pt7  2  0.0000  0.0000  0.2902  1
  Pt  Pt8  2  0.0000  0.0000  0.7890  1
]