data_[S4N2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0106]
_cell_length_b [7.7502]
_cell_length_c [9.2624]
_cell_angle_alpha [99.2463]
_cell_angle_beta [91.3308]
_cell_angle_gamma [104.3197]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [S2NCl]
_chemical_formula_sum '[S4 N2 Cl2]'
_cell_volume [274.7330]
_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
[
  S  S0  2  0.0969  0.5598  0.7185  1
  S  S1  2  0.3931  0.4221  0.7788  1
  N  N2  2  0.1053  0.0633  0.0138  1
  Cl  Cl3  2  0.3569  0.1852  0.6239  1
]