data_[Ti10Al4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7629]
_cell_length_b [5.4005]
_cell_length_c [8.6511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5(AlPd6)2]
_chemical_formula_sum '[Ti10 Al4 Pd24]'
_cell_volume [652.1459]
_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  4  0.1464  0.5000  0.8379  1
  Ti  Ti1  4  0.1683  0.5000  0.3227  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Al  Al3  4  0.0000  0.2513  0.0000  1
  Pd  Pd4  8  0.1695  0.2485  0.5876  1
  Pd  Pd5  8  0.1883  0.2442  0.0934  1
  Pd  Pd6  4  0.0090  0.5000  0.3528  1
  Pd  Pd7  4  0.0800  0.0000  0.2688  1
]