data_[Fe4Pt8]
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 [10.2479]
_cell_length_b [2.7696]
_cell_length_c [6.5139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FePt2]
_chemical_formula_sum '[Fe4 Pt8]'
_cell_volume [178.3772]
_cell_formula_units_Z [4]
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  0.1677  0.5000  0.3319  1.0
  Fe  Fe1  2  0.4997  0.5000  0.0042  1.0
  Pt  Pt2  2  0.0586  0.0000  0.6021  1.0
  Pt  Pt3  2  0.2118  0.5000  0.9514  1.0
  Pt  Pt4  2  0.3366  0.0000  0.6736  1.0
  Pt  Pt5  2  0.3923  0.0000  0.2700  1.0
]