data_Hg2C(NCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   9.16
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   107.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2C(NCl)2
_chemical_formula_sum   'Hg8 C4 N8 Cl8'
_cell_volume   608.61
_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
  Hg  Hg0  1  0.75  0.58  0.02  1.0
  Hg  Hg1  1  0.23  0.51  0.18  1.0
  Hg  Hg2  1  0.53  0.66  0.86  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0
  Hg  Hg4  1  0.48  0.24  0.16  1.0
  Hg  Hg5  1  0.28  0.93  0.88  1.0
  Hg  Hg6  1  0.75  0.0  0.02  1.0
  Hg  Hg7  1  0.0  0.58  0.0  1.0
  C  C8  1  0.94  0.4  0.36  1.0
  C  C9  1  0.83  0.77  0.68  1.0
  C  C10  1  0.19  0.35  0.34  1.0
  C  C11  1  0.58  0.81  0.7  1.0
  N  N12  1  0.82  0.51  0.19  1.0
  N  N13  1  0.03  0.16  0.57  1.0
  N  N14  1  0.74  0.0  0.47  1.0
  N  N15  1  0.7  0.1  0.86  1.0
  N  N16  1  0.49  0.58  0.48  1.0
  N  N17  1  0.28  0.58  0.55  1.0
  N  N18  1  0.94  0.65  0.84  1.0
  N  N19  1  0.07  0.07  0.18  1.0
  Cl  Cl20  1  0.31  0.91  0.96  1.0
  Cl  Cl21  1  0.31  0.97  0.55  1.0
  Cl  Cl22  1  0.06  0.78  0.56  1.0
  Cl  Cl23  1  0.56  0.84  0.95  1.0
  Cl  Cl24  1  0.7  0.39  0.47  1.0
  Cl  Cl25  1  0.46  0.26  0.07  1.0
  Cl  Cl26  1  0.45  0.2  0.49  1.0
  Cl  Cl27  1  0.21  0.33  0.09  1.0

data_Hg2C(NCl)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.26
_cell_length_b   8.42
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2C(NCl)2
_chemical_formula_sum   'Hg8 C4 N8 Cl8'
_cell_volume   608.61
_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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.42  1.0
  Hg  Hg2  1  0.25  0.98  0.0  1.0
  Hg  Hg3  1  0.25  0.98  0.42  1.0
  Hg  Hg4  1  0.47  0.14  0.34  1.0
  Hg  Hg5  1  0.52  0.84  0.76  1.0
  Hg  Hg6  1  0.72  0.12  0.07  1.0
  Hg  Hg7  1  0.77  0.82  0.49  1.0
  C  C8  1  0.06  0.64  0.6  1.0
  C  C9  1  0.17  0.32  0.23  1.0
  C  C10  1  0.42  0.3  0.19  1.0
  C  C11  1  0.81  0.66  0.65  1.0
  N  N12  1  0.06  0.16  0.35  1.0
  N  N13  1  0.18  0.81  0.49  1.0
  N  N14  1  0.26  0.53  1.0  1.0
  N  N15  1  0.3  0.14  0.9  1.0
  N  N16  1  0.51  0.52  0.42  1.0
  N  N17  1  0.72  0.45  0.42  1.0
  N  N18  1  0.93  0.82  0.93  1.0
  N  N19  1  0.97  0.43  0.84  1.0
  Cl  Cl20  1  0.3  0.53  0.61  1.0
  Cl  Cl21  1  0.44  0.05  0.16  1.0
  Cl  Cl22  1  0.54  0.93  0.74  1.0
  Cl  Cl23  1  0.55  0.51  0.8  1.0
  Cl  Cl24  1  0.69  0.45  0.03  1.0
  Cl  Cl25  1  0.69  0.04  0.09  1.0
  Cl  Cl26  1  0.79  0.91  0.67  1.0
  Cl  Cl27  1  0.94  0.44  0.22  1.0

Hg Hg Hg Hg Hg Hg Hg Hg C C C C N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl