data_[Ti18Pd8Pt22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.0322]
_cell_length_b [18.9695]
_cell_length_c [2.8391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti9Pd4Pt11]
_chemical_formula_sum '[Ti18 Pd8 Pt22]'
_cell_volume [755.7355]
_cell_formula_units_Z [2]
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  8  0.1067  0.0968  0.5000  1
  Ti  Ti1  8  0.1253  0.2866  0.5000  1
  Ti  Ti2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.1599  0.4234  0.5000  1
  Pt  Pt4  8  0.2137  0.1827  0.0000  1
  Pt  Pt5  4  0.0000  0.2009  0.0000  1
  Pt  Pt6  4  0.0000  0.3671  0.0000  1
  Pt  Pt7  4  0.2000  0.0000  0.0000  1
  Pt  Pt8  2  0.0000  0.0000  0.0000  1
]