data_[Pd1N2F4]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.2083]
_cell_length_b [4.9120]
_cell_length_c [7.2384]
_cell_angle_alpha [102.0748]
_cell_angle_beta [102.2375]
_cell_angle_gamma [101.0231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd(NF2)2]
_chemical_formula_sum '[Pd1 N2 F4]'
_cell_volume [105.6502]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  N  N1  2  0.3665  0.8232  0.8292  1
  F  F2  2  0.2529  0.5164  0.7801  1
  F  F3  2  0.2941  0.8802  0.6429  1
]