data_[Al2Fe4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9946]
_cell_length_b [3.9611]
_cell_length_c [6.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al(FePt4)2]
_chemical_formula_sum '[Al2 Fe4 Pt16]'
_cell_volume [330.5951]
_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  0.0000  0.5000  0.0000  1.0
  Fe  Fe1  4  0.2252  0.0000  0.6434  1.0
  Pt  Pt2  4  0.0458  0.0000  0.7301  1.0
  Pt  Pt3  4  0.0974  0.5000  0.4535  1.0
  Pt  Pt4  4  0.1421  0.0000  0.1958  1.0
  Pt  Pt5  4  0.1802  0.5000  0.9176  1.0
]