data_[Fe6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9515]
_cell_length_b [2.7401]
_cell_length_c [6.5108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FePt]
_chemical_formula_sum '[Fe6 Pt6]'
_cell_volume [170.0650]
_cell_formula_units_Z [6]
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  0.0044  0.0000  0.0020  1.0
  Fe  Fe1  2  0.3315  0.0000  0.6842  1.0
  Fe  Fe2  2  0.3932  0.0000  0.2608  1.0
  Pt  Pt3  2  0.0362  0.0000  0.6004  1.0
  Pt  Pt4  2  0.1758  0.5000  0.3412  1.0
  Pt  Pt5  2  0.2257  0.5000  0.9446  1.0
]