data_[Ti20Ni4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9878]
_cell_length_b [6.0871]
_cell_length_c [9.4409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti5NiPd]
_chemical_formula_sum '[Ti20 Ni4 Pd4]'
_cell_volume [467.2451]
_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  0.1385  0.3802  0.0046  1
  Ti  Ti1  8  0.2220  0.2669  0.6874  1
  Ti  Ti2  4  0.0000  0.0437  0.7500  1
  Ni  Ni3  4  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.0000  0.4184  0.2500  1
]