data_[Sb4Se4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  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 [9.8024]
_cell_length_b [5.0832]
_cell_length_c [9.0995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SbSeN]
_chemical_formula_sum '[Sb4 Se4 N4]'
_cell_volume [448.1051]
_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
[
  Sb  Sb0  4  0.4160  0.1723  0.0823  1.0
  Se  Se1  4  0.3482  0.6857  0.7732  1.0
  N  N2  4  0.0162  0.0960  0.4788  1.0
]