data_Ir3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3N
_chemical_formula_sum   'Ir6 N2'
_cell_volume   110.33
_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  0.0  0.28  0.06  1.0
  Ir  Ir1  1  0.44  0.76  0.06  1.0
  Ir  Ir2  1  0.56  0.76  0.06  1.0
  Ir  Ir3  1  0.41  0.63  0.69  1.0
  Ir  Ir4  1  0.97  0.14  0.69  1.0
  Ir  Ir5  1  0.84  0.14  0.69  1.0
  N  N6  1  0.0  0.93  0.69  1.0
  N  N7  1  0.41  0.97  0.06  1.0

data_Ir3N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.74
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ir3N
_chemical_formula_sum   'Ir6 N2'
_cell_volume   110.33
_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  0.31  0.2  0.18  1.0
  Ir  Ir1  2  0.31  0.64  0.69  1.0
  Ir  Ir2  2  0.31  0.77  0.69  1.0
  N  N3  2  0.31  0.8  0.48  1.0

Ir Ir Ir Ir Ir Ir N N