data_[Si2P4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4708]
_cell_length_b [4.0544]
_cell_length_c [5.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si(PPd4)2]
_chemical_formula_sum '[Si2 P4 Pd16]'
_cell_volume [323.7023]
_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
  P  P1  4  0.1746  0.0000  0.6865  1.0
  Pd  Pd2  4  0.0350  0.0000  0.8048  1.0
  Pd  Pd3  4  0.0901  0.5000  0.4594  1.0
  Pd  Pd4  4  0.1763  0.5000  0.9744  1.0
  Pd  Pd5  4  0.1957  0.0000  0.3179  1.0
]