data_[Y8Si16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4152]
_cell_length_b [4.0782]
_cell_length_c [10.5652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [YSi2Pd]
_chemical_formula_sum '[Y8 Si16 Pd8]'
_cell_volume [578.0239]
_cell_formula_units_Z [8]
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  0.0504  0.2500  0.7546  1
  Y  Y1  4  0.1992  0.7500  0.0249  1
  Si  Si2  4  0.0302  0.2500  0.0423  1
  Si  Si3  4  0.1157  0.2500  0.2323  1
  Si  Si4  4  0.1256  0.7500  0.5389  1
  Si  Si5  4  0.2082  0.7500  0.7339  1
  Pd  Pd6  4  0.0602  0.2500  0.4448  1
  Pd  Pd7  4  0.2066  0.7500  0.3213  1
]