data_[Si8Sn8Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [9.8269]
_cell_length_b [13.5633]
_cell_length_c [5.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [SiSnPd3]
_chemical_formula_sum '[Si8 Sn8 Pd24]'
_cell_volume [668.1357]
_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
[
  Si  Si0  8  0.2500  0.1365  0.7500  1.0
  Sn  Sn1  8  0.0000  0.1016  0.3611  1.0
  Pd  Pd2  8  0.0000  0.1858  0.8480  1.0
  Pd  Pd3  8  0.1560  0.0000  0.0000  1.0
  Pd  Pd4  8  0.2500  0.1888  0.2500  1.0
]