data_[Si4Sb2Pd16]
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 [14.9000]
_cell_length_b [3.9689]
_cell_length_c [6.2343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2SbPd8]
_chemical_formula_sum '[Si4 Sb2 Pd16]'
_cell_volume [345.2043]
_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  4  0.1881  0.0000  0.6889  1.0
  Sb  Sb1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0368  0.0000  0.7531  1.0
  Pd  Pd3  4  0.0954  0.5000  0.4735  1.0
  Pd  Pd4  4  0.1771  0.5000  0.9566  1.0
  Pd  Pd5  4  0.1987  0.0000  0.3117  1.0
]