data_HgN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   12.61
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   110.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgN3
_chemical_formula_sum   'Hg4 N12'
_cell_volume   256.64
_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  0.78  0.13  0.09  1.0
  Hg  Hg1  1  0.45  0.83  0.61  1.0
  Hg  Hg2  1  0.87  0.78  0.19  1.0
  Hg  Hg3  1  0.54  0.47  0.71  1.0
  N  N4  1  0.49  0.14  0.81  1.0
  N  N5  1  0.69  0.04  0.58  1.0
  N  N6  1  0.12  0.21  0.54  1.0
  N  N7  1  0.3  0.91  0.36  1.0
  N  N8  1  0.73  0.34  0.32  1.0
  N  N9  1  0.93  0.84  0.09  1.0
  N  N10  1  0.4  0.77  0.71  1.0
  N  N11  1  0.59  0.27  0.48  1.0
  N  N12  1  0.03  0.7  0.44  1.0
  N  N13  1  0.21  0.39  0.26  1.0
  N  N14  1  0.64  0.57  0.22  1.0
  N  N15  1  0.83  0.46  0.99  1.0

data_HgN3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.51
_cell_length_b   5.95
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.85
_symmetry_Int_Tables_number   2
_chemical_formula_structural   HgN3
_chemical_formula_sum   'Hg4 N12'
_cell_volume   256.64
_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
  Hg  Hg0  2  0.07  0.69  0.83  1.0
  Hg  Hg1  2  0.08  0.79  0.47  1.0
  N  N2  2  0.08  0.31  0.46  1.0
  N  N3  2  0.08  0.41  0.84  1.0
  N  N4  2  0.18  0.04  0.39  1.0
  N  N5  2  0.18  0.14  0.91  1.0
  N  N6  2  0.35  0.82  0.27  1.0
  N  N7  2  0.35  0.92  0.04  1.0

Hg Hg Hg Hg N N N N N N N N N N N N