data_KCSN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   10.94
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCSN
_chemical_formula_sum   'K4 C4 S4 N4'
_cell_volume   432.7
_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
  K  K4  1  0.85  0.22  0.59  1.0
  K  K5  1  0.36  0.68  0.59  1.0
  K  K6  1  0.85  0.25  0.78  1.0
  K  K7  1  0.36  0.72  0.78  1.0
  C  C0  1  0.61  0.23  0.59  1.0
  C  C1  1  0.6  0.7  0.59  1.0
  C  C2  1  0.61  0.23  0.78  1.0
  C  C3  1  0.6  0.7  0.78  1.0
  S  S12  1  0.52  0.13  0.59  1.0
  S  S13  1  0.69  0.6  0.59  1.0
  S  S14  1  0.52  0.34  0.78  1.0
  S  S15  1  0.69  0.81  0.78  1.0
  N  N8  1  0.23  0.22  0.59  1.0
  N  N9  1  0.98  0.69  0.59  1.0
  N  N10  1  0.23  0.25  0.78  1.0
  N  N11  1  0.98  0.71  0.78  1.0

data_KCSN
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.21
_cell_length_b   6.37
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KCSN
_chemical_formula_sum   'K4 C4 S4 N4'
_cell_volume   432.7
_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
  K  K0  2  0.24  0.09  0.28  1.0
  K  K1  2  0.24  0.91  0.25  1.0
  C  C2  2  0.01  0.09  0.27  1.0
  C  C3  2  0.01  0.91  0.27  1.0
  S  S4  2  0.08  0.91  0.63  1.0
  S  S5  2  0.08  0.09  0.84  1.0
  N  N6  2  0.38  0.09  0.75  1.0
  N  N7  2  0.38  0.91  0.72  1.0

K K K K C C C C S S S S N N N N