data_KHgC3(SN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97
_cell_length_b   4.05
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   115.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHgC3(SN)3
_chemical_formula_sum   'K2 Hg2 C6 S6 N6'
_cell_volume   452.99
_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
  K  K8  1  0.28  0.03  0.13  1.0
  K  K9  1  0.92  0.01  0.08  1.0
  Hg  Hg6  1  0.9  0.01  0.69  1.0
  Hg  Hg7  1  0.3  0.03  0.52  1.0
  C  C0  1  0.21  0.03  0.53  1.0
  C  C1  1  0.72  0.01  0.0  1.0
  C  C2  1  0.71  0.01  0.29  1.0
  C  C3  1  0.5  0.03  0.92  1.0
  C  C4  1  0.48  0.03  0.21  1.0
  C  C5  1  0.99  0.01  0.68  1.0
  S  S16  1  0.61  0.01  0.6  1.0
  S  S17  1  0.84  0.03  0.8  1.0
  S  S18  1  0.4  0.01  0.92  1.0
  S  S19  1  0.81  0.03  0.29  1.0
  S  S20  1  0.36  0.01  0.41  1.0
  S  S21  1  0.59  0.03  0.61  1.0
  N  N10  1  0.19  0.01  0.87  1.0
  N  N11  1  0.91  0.01  0.17  1.0
  N  N12  1  0.94  0.01  0.13  1.0
  N  N13  1  0.27  0.03  0.08  1.0
  N  N14  1  0.3  0.03  0.04  1.0
  N  N15  1  0.01  0.03  0.34  1.0

data_KHgC3(SN)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.05
_cell_length_b   10.97
_cell_length_c   11.27
_cell_angle_alpha   115.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KHgC3(SN)3
_chemical_formula_sum   'K2 Hg2 C6 S6 N6'
_cell_volume   452.99
_cell_formula_units_Z   2
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  0.49  0.32  0.48  1.0
  Hg  Hg1  2  0.49  0.3  0.09  1.0
  C  C2  2  0.49  0.11  0.69  1.0
  C  C3  2  0.49  0.12  0.4  1.0
  C  C4  2  0.49  0.39  0.07  1.0
  S  S5  2  0.49  0.01  0.99  1.0
  S  S6  2  0.49  0.76  0.81  1.0
  S  S7  2  0.49  0.8  0.31  1.0
  N  N8  2  0.49  0.3  0.56  1.0
  N  N9  2  0.49  0.33  0.53  1.0
  N  N10  2  0.49  0.59  0.27  1.0

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