data_Sr4IrN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.36
_cell_length_c   9.17
_cell_angle_alpha   69.84
_cell_angle_beta   80.39
_cell_angle_gamma   74.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4IrN4
_chemical_formula_sum   'Sr8 Ir2 N8'
_cell_volume   332.91
_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
  Sr  Sr0  1  0.21  0.89  0.28  1.0
  Sr  Sr1  1  0.35  0.09  0.31  1.0
  Sr  Sr2  1  0.28  0.82  0.45  1.0
  Sr  Sr3  1  0.28  0.16  0.13  1.0
  Sr  Sr4  1  0.39  0.35  0.11  1.0
  Sr  Sr5  1  0.17  0.64  0.47  1.0
  Sr  Sr6  1  0.01  0.73  0.34  1.0
  Sr  Sr7  1  0.55  0.25  0.24  1.0
  Ir  Ir8  1  0.17  0.25  0.55  1.0
  Ir  Ir9  1  0.38  0.73  0.03  1.0
  N  N10  1  0.33  0.98  0.29  1.0
  N  N11  1  0.23  0.0  0.29  1.0
  N  N12  1  0.92  0.69  0.52  1.0
  N  N13  1  0.64  0.29  0.07  1.0
  N  N14  1  0.63  0.1  0.76  1.0
  N  N15  1  0.92  0.88  0.83  1.0
  N  N16  1  1.0  0.12  0.97  1.0
  N  N17  1  0.56  0.86  0.61  1.0

data_Sr4IrN4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.33
_cell_length_b   6.36
_cell_length_c   9.17
_cell_angle_alpha   69.84
_cell_angle_beta   80.39
_cell_angle_gamma   74.54
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sr4IrN4
_chemical_formula_sum   'Sr8 Ir2 N8'
_cell_volume   332.91
_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
  Sr  Sr0  2  0.0  0.67  0.84  1.0
  Sr  Sr1  2  0.07  0.6  0.01  1.0
  Sr  Sr2  2  0.11  0.86  0.82  1.0
  Sr  Sr3  2  0.27  0.76  0.95  1.0
  Ir  Ir4  2  0.1  0.24  0.74  1.0
  N  N5  2  0.05  0.49  0.0  1.0
  N  N6  2  0.28  0.37  0.32  1.0
  N  N7  2  0.36  0.61  0.47  1.0
  N  N8  2  0.36  0.8  0.78  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Ir Ir N N N N N N N N
Sr Sr Sr Sr Sr Sr Sr Sr Ir Ir N N N N N N N N 0 11 o + o 0 2 o o o 0 6 o o o 0 9 o o o 1 10 o - o 1 3 o o o 1 7 o o o 1 8 o o o 2 5 o o o 2 11 o + o 2 10 o o o 2 8 o + o 2 17 o o o 3 11 o o o 3 10 o - o 3 4 o o o 3 9 o - o 3 16 - o - 4 13 o o o 4 7 o o o 4 9 o o o 5 6 o o o 5 12 - o o 5 8 o o o 6 12 - o o 6 8 o o o 7 13 o o o 7 9 o o o 8 12 - o o 8 17 o - o 9 16 - + - 9 13 o o o 10 11 o + o 12 17 o o o 13 16 o o - 14 15 o - o 14 17 o - o 15 16 o + o 