data_[Y12Sn8Pd4]
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 [Pnma]
_cell_length_a [12.1456]
_cell_length_b [4.5358]
_cell_length_c [11.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y3Sn2Pd]
_chemical_formula_sum '[Y12 Sn8 Pd4]'
_cell_volume [635.9819]
_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
[
  Y  Y0  4  0.0512  0.2500  0.3710  1
  Y  Y1  4  0.1251  0.7500  0.9409  1
  Y  Y2  4  0.2292  0.2500  0.6986  1
  Sn  Sn3  4  0.0042  0.7500  0.1891  1
  Sn  Sn4  4  0.1861  0.7500  0.4928  1
  Pd  Pd5  4  0.1240  0.2500  0.1255  1
]