data_[Ti12Pd12Pt4]
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 [C2/m]
_cell_length_a [6.3085]
_cell_length_b [8.1848]
_cell_length_c [8.9089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti3Pd3Pt]
_chemical_formula_sum '[Ti12 Pd12 Pt4]'
_cell_volume [458.1273]
_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  8  0.1686  0.3029  0.2760  1
  Ti  Ti1  4  0.2191  0.5000  0.9538  1
  Pd  Pd2  4  0.0000  0.1746  0.5000  1
  Pd  Pd3  4  0.0000  0.2436  0.0000  1
  Pd  Pd4  4  0.1337  0.5000  0.6279  1
  Pt  Pt5  4  0.0313  0.0000  0.7798  1
]