data_[Pb1I1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.7746]
_cell_length_b [6.1413]
_cell_length_c [7.8934]
_cell_angle_alpha [103.8041]
_cell_angle_beta [93.8354]
_cell_angle_gamma [106.1547]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PbIN2]
_chemical_formula_sum '[Pb1 I1 N2]'
_cell_volume [168.9243]
_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
[
  Pb  Pb0  1  0.6055  0.1678  0.8167  1
  I  I1  1  0.8685  0.6823  0.8170  1
  N  N2  1  0.5626  0.0875  0.3632  1
  N  N3  1  0.6506  0.1873  0.2644  1
]