data_CsCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   6.44
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsCSN
_chemical_formula_sum   'Cs4 C4 S4 N4'
_cell_volume   445.49
_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
  Cs  Cs0  1  0.53  0.61  0.36  1.0
  Cs  Cs1  1  0.47  0.61  0.89  1.0
  Cs  Cs2  1  0.6  0.83  0.15  1.0
  Cs  Cs3  1  0.66  0.83  0.62  1.0
  C  C4  1  0.48  0.61  0.01  1.0
  C  C5  1  0.72  0.83  0.75  1.0
  C  C6  1  0.41  0.61  0.76  1.0
  C  C7  1  0.65  0.83  0.5  1.0
  S  S8  1  0.93  0.83  0.66  1.0
  S  S9  1  0.26  0.61  0.91  1.0
  S  S10  1  0.2  0.61  0.85  1.0
  S  S11  1  0.87  0.83  0.6  1.0
  N  N12  1  0.32  0.61  0.98  1.0
  N  N13  1  0.81  0.83  0.53  1.0
  N  N14  1  0.38  0.61  0.27  1.0
  N  N15  1  0.75  0.83  0.24  1.0

data_CsCSN
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.44
_cell_length_b   8.13
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CsCSN
_chemical_formula_sum   'Cs4 C4 S4 N4'
_cell_volume   445.49
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.11  0.03  0.39  1.0
  Cs  Cs1  2  0.11  0.1  0.86  1.0
  C  C2  2  0.11  0.09  0.75  1.0
  C  C3  2  0.11  0.15  1.0  1.0
  S  S4  2  0.11  0.3  0.84  1.0
  S  S5  2  0.11  0.37  0.9  1.0
  N  N6  2  0.11  0.18  0.48  1.0
  N  N7  2  0.11  0.25  0.77  1.0

Cs Cs Cs Cs C C C C S S S S N N N N