data_[Fe18Cu8Pt22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.2025]
_cell_length_b [16.1853]
_cell_length_c [2.7303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Fe9Cu4Pt11]
_chemical_formula_sum '[Fe18 Cu8 Pt22]'
_cell_volume [671.8108]
_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  8  0.1209  0.0835  0.5000  1
  Fe  Fe1  8  0.1225  0.2568  0.5000  1
  Fe  Fe2  2  0.0000  0.5000  0.5000  1
  Cu  Cu3  8  0.1359  0.4179  0.5000  1
  Pt  Pt4  8  0.2423  0.1682  0.0000  1
  Pt  Pt5  4  0.0000  0.1731  0.0000  1
  Pt  Pt6  4  0.0000  0.3515  0.0000  1
  Pt  Pt7  4  0.2406  0.0000  0.0000  1
  Pt  Pt8  2  0.0000  0.0000  0.0000  1
]