data_[Ti4Sn4Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0200]
_cell_length_b [5.6435]
_cell_length_c [9.3945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TiSnPd5]
_chemical_formula_sum '[Ti4 Sn4 Pd20]'
_cell_volume [477.8659]
_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  0.0000  0.3850  0.2500  1
  Sn  Sn1  4  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1453  0.4289  0.5213  1
  Pd  Pd3  8  0.2220  0.1523  0.2024  1
  Pd  Pd4  4  0.0000  0.1800  0.7500  1
]