data_[Ti8Pt4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.9188]
_cell_length_b [4.3841]
_cell_length_c [5.5835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ti2PtAu]
_chemical_formula_sum '[Ti8 Pt4 Au4]'
_cell_volume [267.2784]
_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  0.0599  0.2500  0.6373  1.0
  Ti  Ti1  4  0.1935  0.7500  0.8980  1.0
  Pt  Pt2  4  0.1748  0.7500  0.4110  1.0
  Au  Au3  4  0.0764  0.2500  0.1287  1.0
]