data_[Y32Pd8Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.2842]
_cell_length_b [10.1518]
_cell_length_c [13.8297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Y4PdRu]
_chemical_formula_sum '[Y32 Pd8 Ru8]'
_cell_volume [1303.4734]
_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  32  0.0226  0.2358  0.8754  1
  Pd  Pd1  8  0.0000  0.0000  0.0000  1
  Ru  Ru2  8  0.0000  0.0000  0.5000  1
]