data_[Pd7N7]
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 [P6mm]
_cell_length_a [7.2476]
_cell_length_b [7.2476]
_cell_length_c [17.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [PdN]
_chemical_formula_sum '[Pd7 N7]'
_cell_volume [809.5378]
_cell_formula_units_Z [7]
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  6  0.2105  0.7895  0.5462  1
  Pd  Pd1  1  0.0000  0.0000  0.4918  1
  N  N2  6  0.2679  0.5357  0.4391  1
  N  N3  1  0.0000  0.0000  0.5963  1
]