data_[Y26Sn62Pd80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [20.2134]
_cell_length_b [20.2134]
_cell_length_c [9.3930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Y13Sn31Pd40]
_chemical_formula_sum '[Y26 Sn62 Pd80]'
_cell_volume [3323.6538]
_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
[
  Y  Y0  12  0.0000  0.2708  0.2891  1
  Y  Y1  6  0.1536  0.5768  0.5000  1
  Y  Y2  6  0.2431  0.7569  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.2087  1
  Sn  Sn4  12  0.1259  0.4113  0.5000  1
  Sn  Sn5  12  0.1773  0.3546  0.2317  1
  Sn  Sn6  12  0.2141  0.6070  0.1862  1
  Sn  Sn7  6  0.0000  0.1459  0.5000  1
  Sn  Sn8  6  0.0000  0.1620  0.0000  1
  Sn  Sn9  6  0.0000  0.3872  0.0000  1
  Sn  Sn10  6  0.0000  0.5000  0.2602  1
  Sn  Sn11  2  0.3333  0.6667  0.5000  1
  Pd  Pd12  24  0.1058  0.4474  0.2211  1
  Pd  Pd13  12  0.0850  0.3207  0.0000  1
  Pd  Pd14  12  0.0876  0.1751  0.2433  1
  Pd  Pd15  12  0.2605  0.5209  0.3472  1
  Pd  Pd16  6  0.0000  0.4229  0.5000  1
  Pd  Pd17  6  0.0891  0.5446  0.0000  1
  Pd  Pd18  6  0.1421  0.2842  0.5000  1
  Pd  Pd19  2  0.3333  0.6667  0.0000  1
]