data_[C4S4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7057]
_cell_length_b [4.4049]
_cell_length_c [14.4862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CSN2]
_chemical_formula_sum '[C4 S4 N8]'
_cell_volume [299.2989]
_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
[
  C  C0  4  0.1330  0.1604  0.1098  1
  S  S1  4  0.0861  0.5330  0.3063  1
  N  N2  4  0.1762  0.6755  0.7489  1
  N  N3  4  0.2529  0.2482  0.5479  1
]