data_[Ti8Fe4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.0378]
_cell_length_b [18.4690]
_cell_length_c [4.2330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ti2FePt]
_chemical_formula_sum '[Ti8 Fe4 Pt4]'
_cell_volume [237.4911]
_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
[
  Ti  Ti0  4  0.0000  0.0519  0.2500  1
  Ti  Ti1  4  0.0000  0.1898  0.7500  1
  Fe  Fe2  4  0.0000  0.4420  0.2500  1
  Pt  Pt3  4  0.0000  0.3332  0.7500  1
]