data_[Pd4N4]
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 [Cm]
_cell_length_a [8.5967]
_cell_length_b [2.9397]
_cell_length_c [4.8359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PdN]
_chemical_formula_sum '[Pd4 N4]'
_cell_volume [120.4596]
_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  2  0.1112  0.5000  0.7260  1
  Pd  Pd1  2  0.3564  0.5000  0.3930  1
  N  N2  2  0.3369  0.5000  0.9700  1
  N  N3  2  0.4298  0.5000  0.8106  1
]