data_Ir(C2N3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir(C2N3)3
_chemical_formula_sum   'Ir2 C12 N18'
_cell_volume   565.41
_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
  Ir  Ir0  1  0.57  1.0  0.89  1.0
  Ir  Ir1  1  0.57  0.0  0.66  1.0
  C  C2  1  0.44  0.83  0.89  1.0
  C  C3  1  0.44  0.17  0.66  1.0
  C  C4  1  0.7  0.17  0.66  1.0
  C  C5  1  0.7  0.83  0.89  1.0
  C  C6  1  0.01  0.97  0.39  1.0
  C  C7  1  0.01  0.03  0.16  1.0
  C  C8  1  0.01  0.97  0.94  1.0
  C  C9  1  0.01  0.03  0.61  1.0
  C  C10  1  0.13  0.03  0.16  1.0
  C  C11  1  0.13  0.97  0.39  1.0
  C  C12  1  0.13  0.03  0.61  1.0
  C  C13  1  0.13  0.97  0.94  1.0
  N  N14  1  0.57  0.21  0.89  1.0
  N  N15  1  0.57  0.79  0.66  1.0
  N  N16  1  0.37  0.32  0.89  1.0
  N  N17  1  0.37  0.68  0.66  1.0
  N  N18  1  0.78  0.68  0.66  1.0
  N  N19  1  0.78  0.32  0.89  1.0
  N  N20  1  0.57  0.77  0.9  1.0
  N  N21  1  0.57  0.23  0.65  1.0
  N  N22  1  0.57  0.77  0.42  1.0
  N  N23  1  0.57  0.23  0.13  1.0
  N  N24  1  0.94  0.24  0.99  1.0
  N  N25  1  0.94  0.76  0.56  1.0
  N  N26  1  0.94  0.24  0.34  1.0
  N  N27  1  0.94  0.76  0.21  1.0
  N  N28  1  0.21  0.76  0.56  1.0
  N  N29  1  0.21  0.24  0.99  1.0
  N  N30  1  0.21  0.76  0.21  1.0
  N  N31  1  0.21  0.24  0.34  1.0

data_Ir(C2N3)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.14
_cell_length_b   7.73
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.53
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ir(C2N3)3
_chemical_formula_sum   'Ir2 C12 N18'
_cell_volume   565.41
_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
  Ir  Ir0  2  0.0  0.5  0.61  1.0
  C  C1  2  0.03  0.09  0.11  1.0
  C  C2  2  0.03  0.09  0.66  1.0
  C  C3  2  0.03  0.97  0.11  1.0
  C  C4  2  0.03  0.97  0.66  1.0
  C  C5  2  0.17  0.53  0.61  1.0
  C  C6  2  0.17  0.8  0.61  1.0
  N  N7  2  0.21  0.71  0.39  1.0
  N  N8  2  0.23  0.73  0.15  1.0
  N  N9  2  0.23  0.73  0.63  1.0
  N  N10  2  0.24  0.11  0.29  1.0
  N  N11  2  0.24  0.11  0.94  1.0
  N  N12  2  0.24  0.38  0.29  1.0
  N  N13  2  0.24  0.38  0.94  1.0
  N  N14  2  0.32  0.03  0.39  1.0
  N  N15  2  0.32  0.62  0.39  1.0

Ir Ir C C C C C C C C C C C C N N N N N N N N N N N N N N N N N N