data_ZnHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   94.24
_cell_angle_beta   94.24
_cell_angle_gamma   148.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgC4(SN)4
_chemical_formula_sum   'Zn1 Hg1 C4 S4 N4'
_cell_volume   276.22
_cell_formula_units_Z   1
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
  Zn  Zn13  1  0.0  0.0  0.0  1.0
  Hg  Hg4  1  0.0  0.57  0.11  1.0
  C  C0  1  0.11  0.53  0.63  1.0
  C  C1  1  0.04  0.68  0.59  1.0
  C  C2  1  0.53  0.89  0.82  1.0
  C  C3  1  0.46  0.04  0.41  1.0
  S  S9  1  0.61  0.84  0.46  1.0
  S  S10  1  0.73  0.18  0.76  1.0
  S  S11  1  0.84  0.39  0.99  1.0
  S  S12  1  0.96  0.73  0.24  1.0
  N  N5  1  0.46  0.55  0.06  1.0
  N  N6  1  0.02  0.03  0.16  1.0
  N  N7  1  0.55  0.54  0.39  1.0
  N  N8  1  0.11  0.02  0.84  1.0

data_ZnHgC4(SN)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   85.76
_cell_angle_beta   74.22
_cell_angle_gamma   74.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnHgC4(SN)4
_chemical_formula_sum   'Zn1 Hg1 C4 S4 N4'
_cell_volume   276.22
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.57  0.43  0.89  1.0
  C  C2  1  0.04  0.41  0.59  1.0
  C  C3  1  0.53  0.59  0.37  1.0
  C  C4  1  0.68  0.36  0.41  1.0
  C  C5  1  0.89  0.64  0.18  1.0
  S  S6  1  0.18  0.55  0.24  1.0
  S  S7  1  0.39  0.45  0.01  1.0
  S  S8  1  0.73  0.24  0.76  1.0
  S  S9  1  0.84  0.76  0.54  1.0
  N  N10  1  0.02  0.1  0.16  1.0
  N  N11  1  0.03  0.99  0.84  1.0
  N  N12  1  0.54  0.01  0.61  1.0
  N  N13  1  0.55  0.9  0.94  1.0

Zn Hg C C C C S S S S N N N N
Zn Hg C C C C S S S S N N N N 0 11 o o o 0 10 o o o 0 10 - - o 0 13 o o - 1 8 - o - 1 5 o + o 1 9 - o o 2 7 - o o 2 3 o o o 2 4 o o o 2 5 - o o 3 5 o + o 3 5 - o o 4 7 o + o 5 9 - - o 5 6 o - o 5 7 o o o 6 12 o o o 9 12 o o o 10 13 o o - 10 12 o o o 10 11 o o o 10 11 + + o 11 12 o o o 