data_[Pd12N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [19.4812]
_cell_length_b [4.8119]
_cell_length_c [8.4690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd3N2]
_chemical_formula_sum '[Pd12 N8]'
_cell_volume [793.8996]
_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
[
  Pd  Pd0  4  0.3846  0.0125  0.4085  1
  Pd  Pd1  4  0.3887  0.5116  0.5733  1
  Pd  Pd2  4  0.3954  0.5009  0.2409  1
  N  N3  4  0.4689  0.2388  0.8690  1
  N  N4  4  0.4711  0.7458  0.1299  1
]