data_[Ti4Fe4Pd16]
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 [Pnma]
_cell_length_a [7.4817]
_cell_length_b [2.7711]
_cell_length_c [17.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TiFePd4]
_chemical_formula_sum '[Ti4 Fe4 Pd16]'
_cell_volume [358.8636]
_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  4  0.2489  0.7500  0.5619  1
  Fe  Fe1  4  0.2461  0.7500  0.3116  1
  Pd  Pd2  4  0.0575  0.2500  0.9339  1
  Pd  Pd3  4  0.0693  0.2500  0.1981  1
  Pd  Pd4  4  0.1010  0.2500  0.6765  1
  Pd  Pd5  4  0.1037  0.2500  0.4390  1
]