data_[Fe2Pd6Pt8]
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 [C2/m]
_cell_length_a [18.2737]
_cell_length_b [2.7809]
_cell_length_c [4.8238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FePd3Pt4]
_chemical_formula_sum '[Fe2 Pd6 Pt8]'
_cell_volume [244.1147]
_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  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.2495  0.0000  0.2487  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  Pt  Pt3  4  0.1201  0.0000  0.8778  1.0
  Pt  Pt4  4  0.1228  0.5000  0.3731  1.0
]