data_[Ti20Fe4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2281]
_cell_length_b [5.7531]
_cell_length_c [9.4818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti5FePd]
_chemical_formula_sum '[Ti20 Fe4 Pd4]'
_cell_volume [460.2971]
_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  0.1326  0.3664  0.5080  1
  Ti  Ti1  8  0.2260  0.2426  0.1769  1
  Ti  Ti2  4  0.0000  0.0396  0.2500  1
  Fe  Fe3  4  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.0000  0.4413  0.7500  1
]