data_CoHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   94.75
_cell_angle_beta   94.75
_cell_angle_gamma   146.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgC4(SN)4
_chemical_formula_sum   'Co1 Hg1 C4 S4 N4'
_cell_volume   298.97
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.6  0.19  1.0
  C  C2  1  0.14  0.76  0.71  1.0
  C  C3  1  0.44  0.14  0.29  1.0
  C  C4  1  0.16  0.46  0.67  1.0
  C  C5  1  0.46  0.84  0.09  1.0
  S  S6  1  0.83  0.29  0.84  1.0
  S  S7  1  0.92  0.83  0.16  1.0
  S  S8  1  0.68  0.77  0.54  1.0
  S  S9  1  0.77  0.32  0.22  1.0
  N  N10  1  0.1  0.08  0.32  1.0
  N  N11  1  0.13  0.1  0.68  1.0
  N  N12  1  0.48  0.5  0.07  1.0
  N  N13  1  0.5  0.52  0.7  1.0

data_CoHgC4(SN)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   85.25
_cell_angle_beta   73.27
_cell_angle_gamma   73.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoHgC4(SN)4
_chemical_formula_sum   'Co1 Hg1 C4 S4 N4'
_cell_volume   298.97
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.41  0.19  0.4  1.0
  C  C2  1  0.05  0.71  0.38  1.0
  C  C3  1  0.75  0.09  0.62  1.0
  C  C4  1  0.79  0.67  0.69  1.0
  C  C5  1  0.85  0.29  0.31  1.0
  S  S6  1  0.09  0.22  0.45  1.0
  S  S7  1  0.23  0.54  0.91  1.0
  S  S8  1  0.44  0.84  0.55  1.0
  S  S9  1  0.67  0.16  0.09  1.0
  N  N10  1  0.42  0.68  0.03  1.0
  N  N11  1  0.44  0.07  0.97  1.0
  N  N12  1  0.76  0.32  0.02  1.0
  N  N13  1  0.83  0.7  0.98  1.0

Co Hg C C C C S S S S N N N N