data_[Si8Ni8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3340]
_cell_length_b [2.8509]
_cell_length_c [8.5081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Si2Ni2Pd]
_chemical_formula_sum '[Si8 Ni8 Pd4]'
_cell_volume [249.4754]
_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
[
  Si  Si0  4  0.0802  0.5000  0.9466  1.0
  Si  Si1  4  0.1281  0.5000  0.5620  1.0
  Ni  Ni2  4  0.0311  0.0000  0.6826  1.0
  Ni  Ni3  4  0.2479  0.5000  0.8771  1.0
  Pd  Pd4  4  0.1597  0.5000  0.3047  1.0
]