data_[Pb4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.8028]
_cell_length_b [4.4111]
_cell_length_c [8.8072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PbSeN]
_chemical_formula_sum '[Pb4 Se4 N4]'
_cell_volume [418.9494]
_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
[
  Pb  Pb0  4  0.3715  0.2496  0.1161  1
  Se  Se1  4  0.3655  0.7499  0.3652  1
  N  N2  4  0.0314  0.0789  0.5331  1
]