data_[Pd6N8]
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 [P1]
_cell_length_a [4.0864]
_cell_length_b [5.2737]
_cell_length_c [21.3755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [104.6953]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pd3N4]
_chemical_formula_sum '[Pd6 N8]'
_cell_volume [445.5881]
_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
[
  Pd  Pd0  1  0.1624  0.5096  0.4613  1
  Pd  Pd1  1  0.2605  0.4813  0.6395  1
  Pd  Pd2  1  0.4157  0.0005  0.4959  1
  Pd  Pd3  1  0.6005  0.4296  0.3660  1
  Pd  Pd4  1  0.8769  0.8376  0.5973  1
  Pd  Pd5  1  0.9535  0.0727  0.3910  1
  N  N6  1  0.0001  0.7271  0.3475  1
  N  N7  1  0.2885  0.7342  0.3732  1
  N  N8  1  0.3966  0.9272  0.5994  1
  N  N9  1  0.4412  0.9976  0.3966  1
  N  N10  1  0.5264  0.4046  0.5199  1
  N  N11  1  0.5372  0.1608  0.6344  1
  N  N12  1  0.8064  0.5209  0.5322  1
  N  N13  1  0.8421  0.1701  0.6458  1
]