data_[Pb2N2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1831]
_cell_length_b [3.9775]
_cell_length_c [6.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PbNF2]
_chemical_formula_sum '[Pb2 N2 F4]'
_cell_volume [156.0343]
_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
[
  Pb  Pb0  2  0.1132  0.7500  0.2841  1
  N  N1  2  0.4793  0.2500  0.2227  1
  F  F2  2  0.0739  0.7500  0.8818  1
  F  F3  2  0.1801  0.2500  0.5512  1
]