# ------------   1  7471226274   ---------------
#generated using pymatgen
data_C8S3N4
_symmetry_space_group_name_H-M   Pna2_1
_cell_length_a   13.43862615
_cell_length_b   10.15002927
_cell_length_c   7.08423941
_cell_angle_alpha   89.98369580
_cell_angle_beta   90.05224572
_cell_angle_gamma   90.04521327
_symmetry_Int_Tables_number   33
_chemical_formula_structural   C8S3N4
_chemical_formula_sum   'C32 S12 N16'
_cell_volume   966.306862028
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x+1/2, y+1/2, z+1/2'
  4  'x+1/2, -y+1/2, 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  C1  4  0.008446  0.858559  0.776722  1
  C  C2  4  0.082063  1.237899  0.817997  1
  C  C3  4  0.088953  1.104012  0.763236  1
  C  C4  4  0.101314  0.669846  0.745873  1
  C  C5  4  0.102484  0.806040  0.725033  1
  C  C6  4  0.179499  1.052835  0.713000  1
  C  C7  4  0.180727  0.585810  0.700109  1
  C  C8  4  0.234802  0.634164  0.211937  1
  S  S9  4  -0.027844  1.025480  0.762604  1
  S  S10  4  -0.014342  0.621691  0.829102  1
  S  S11  4  0.207366  0.891066  0.644558  1
  N  N12  4  -0.058656  0.772663  0.835514  1
  N  N13  4  0.073328  1.347897  0.862023  1
  N  N14  4  0.162749  0.698009  0.207267  1
  N  N15  4  0.248763  0.521589  0.656118  1