data_Mg2IrN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrN3
_chemical_formula_sum   'Mg4 Ir2 N6'
_cell_volume   149.31
_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
  Mg  Mg0  1  0.83  0.96  0.48  1.0
  Mg  Mg1  1  0.99  0.96  0.48  1.0
  Mg  Mg2  1  0.99  0.04  0.29  1.0
  Mg  Mg3  1  0.83  0.04  0.29  1.0
  Ir  Ir4  1  0.41  0.88  0.45  1.0
  Ir  Ir5  1  0.41  0.12  0.26  1.0
  N  N6  1  0.1  0.06  0.3  1.0
  N  N7  1  0.71  0.06  0.3  1.0
  N  N8  1  0.71  0.94  0.49  1.0
  N  N9  1  0.1  0.94  0.49  1.0
  N  N10  1  0.41  0.19  0.43  1.0
  N  N11  1  0.41  0.81  0.62  1.0

data_Mg2IrN3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   119.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2IrN3
_chemical_formula_sum   'Mg4 Ir2 N6'
_cell_volume   149.31
_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
  Mg  Mg0  1  0.52  0.83  0.04  1.0
  Mg  Mg1  1  0.52  0.99  0.04  1.0
  Mg  Mg2  1  0.71  0.83  0.96  1.0
  Mg  Mg3  1  0.71  0.99  0.96  1.0
  Ir  Ir4  1  0.55  0.41  0.12  1.0
  Ir  Ir5  1  0.74  0.41  0.88  1.0
  N  N6  1  0.38  0.41  0.19  1.0
  N  N7  1  0.51  0.1  0.06  1.0
  N  N8  1  0.51  0.71  0.06  1.0
  N  N9  1  0.57  0.41  0.81  1.0
  N  N10  1  0.7  0.1  0.94  1.0
  N  N11  1  0.7  0.71  0.94  1.0

Mg Mg Mg Mg Ir Ir N N N N N N