data_[Pd4N4F4]
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 [C2/m]
_cell_length_a [7.1144]
_cell_length_b [3.0914]
_cell_length_c [9.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdNF]
_chemical_formula_sum '[Pd4 N4 F4]'
_cell_volume [194.1483]
_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  0.0651  0.0000  0.2097  1.0
  N  N1  4  0.0217  0.5000  0.0695  1.0
  F  F2  4  0.1129  0.5000  0.3654  1.0
]