data_[Y12Si8Pd24]
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 [Im-3m]
_cell_length_a [9.3733]
_cell_length_b [9.3733]
_cell_length_c [9.3733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Y3(SiPd3)2]
_chemical_formula_sum '[Y12 Si8 Pd24]'
_cell_volume [823.5137]
_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  12  0.0000  0.0000  0.2866  1
  Si  Si1  8  0.2500  0.2500  0.2500  1
  Pd  Pd2  24  0.0000  0.3225  0.3225  1
]