data_[Ti8Pt8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.0165]
_cell_length_b [5.1453]
_cell_length_c [10.3583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [TiPt]
_chemical_formula_sum '[Ti8 Pt8]'
_cell_volume [267.3655]
_cell_formula_units_Z [8]
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  0.1506  0.4190  0.0128  1.0
  Ti  Ti1  4  0.1572  0.8936  0.8028  1.0
  Pt  Pt2  4  0.1698  0.9212  0.0482  1.0
  Pt  Pt3  4  0.1701  0.6095  0.2675  1.0
]