data_[Se2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4329]
_cell_length_b [3.8437]
_cell_length_c [6.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SeN3]
_chemical_formula_sum '[Se2 N6]'
_cell_volume [84.5645]
_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
[
  Se  Se0  2  0.3127  0.7500  0.6388  1
  N  N1  4  0.0624  0.5774  0.0922  1
  N  N2  2  0.2607  0.2500  0.5221  1
]