data_[Ni8P4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ccc2]
_cell_length_a [6.6584]
_cell_length_b [7.2841]
_cell_length_c [5.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [37]
_chemical_formula_structural [Ni2PPd2]
_chemical_formula_sum '[Ni8 P4 Pd8]'
_cell_volume [261.8154]
_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
[
  Ni  Ni0  8  0.0470  0.1850  0.3381  1.0
  P  P1  4  0.2500  0.2500  0.0155  1.0
  Pd  Pd2  8  0.1948  0.4426  0.6542  1.0
]