data_[Y12Si12Pd8]
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 [Cmcm]
_cell_length_a [4.2760]
_cell_length_b [10.5060]
_cell_length_c [14.1229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Si3Pd2]
_chemical_formula_sum '[Y12 Si12 Pd8]'
_cell_volume [634.4479]
_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  8  0.0000  0.4144  0.6114  1.0
  Y  Y1  4  0.0000  0.1358  0.7500  1.0
  Si  Si2  8  0.0000  0.1057  0.5390  1.0
  Si  Si3  4  0.0000  0.1607  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2940  0.0939  1.0
]