data_[Si2Sb4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8423]
_cell_length_b [4.4034]
_cell_length_c [5.9128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si(SbPd4)2]
_chemical_formula_sum '[Si2 Sb4 Pd16]'
_cell_volume [363.1296]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb1  4  0.1781  0.0000  0.6872  1.0
  Pd  Pd2  4  0.0159  0.0000  0.7818  1.0
  Pd  Pd3  4  0.1007  0.5000  0.4156  1.0
  Pd  Pd4  4  0.1508  0.5000  0.9381  1.0
  Pd  Pd5  4  0.1946  0.0000  0.2575  1.0
]