data_Mg(IN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   12.18
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(IN)2
_chemical_formula_sum   'Mg2 I4 N4'
_cell_volume   306.57
_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  0.08  0.09  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  I  I2  1  0.77  0.44  0.04  1.0
  I  I3  1  0.4  0.74  0.04  1.0
  I  I4  1  0.68  0.65  0.04  1.0
  I  I5  1  0.48  0.53  0.04  1.0
  N  N6  1  0.69  0.51  0.0  1.0
  N  N7  1  0.48  0.67  0.0  1.0
  N  N8  1  0.6  0.58  0.0  1.0
  N  N9  1  0.57  0.6  0.0  1.0

data_Mg(IN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   6.17
_cell_length_c   12.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(IN)2
_chemical_formula_sum   'Mg2 I4 N4'
_cell_volume   306.57
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.08  0.09  1.0
  I  I2  1  0.04  0.4  0.74  1.0
  I  I3  1  0.04  0.48  0.53  1.0
  I  I4  1  0.04  0.68  0.65  1.0
  I  I5  1  0.04  0.77  0.44  1.0
  N  N6  1  0.0  0.48  0.67  1.0
  N  N7  1  0.0  0.57  0.6  1.0
  N  N8  1  0.0  0.6  0.58  1.0
  N  N9  1  0.0  0.69  0.51  1.0

Mg Mg I I I I N N N N