data_[Fe10Pd2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8860]
_cell_length_b [11.6602]
_cell_length_c [7.6034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Fe5PdPt6]
_chemical_formula_sum '[Fe10 Pd2 Pt12]'
_cell_volume [344.5267]
_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
[
  Fe  Fe0  4  0.0000  0.3292  0.5000  1
  Fe  Fe1  4  0.0000  0.3334  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
  Pt  Pt4  8  0.0000  0.1678  0.2529  1
  Pt  Pt5  4  0.0000  0.5000  0.2629  1
]