data_[S4I4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9178]
_cell_length_b [8.3961]
_cell_length_c [6.4452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SIN]
_chemical_formula_sum '[S4 I4 N4]'
_cell_volume [482.4007]
_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
[
  S  S0  4  0.0847  0.5000  0.6112  1.0
  I  I1  4  0.2500  0.2500  0.5000  1.0
  N  N2  4  0.0616  0.0000  0.0169  1.0
]