data_Mg16Al12N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.14
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg16Al12N
_chemical_formula_sum   'Mg16 Al12 N1'
_cell_volume   577.47
_cell_formula_units_Z   1
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  Mg12  1  0.59  0.0  0.22  1.0
  Mg  Mg13  1  0.01  0.0  0.07  1.0
  Mg  Mg14  1  0.75  0.0  0.93  1.0
  Mg  Mg15  1  0.52  0.0  0.53  1.0
  Mg  Mg16  1  0.75  0.02  0.4  1.0
  Mg  Mg17  1  0.0  0.94  0.94  1.0
  Mg  Mg18  1  0.62  0.68  0.4  1.0
  Mg  Mg19  1  0.97  0.49  0.0  1.0
  Mg  Mg20  1  0.6  0.37  0.33  1.0
  Mg  Mg21  1  0.67  0.11  0.03  1.0
  Mg  Mg22  1  0.67  0.89  0.03  1.0
  Mg  Mg23  1  0.6  0.63  0.33  1.0
  Mg  Mg24  1  0.97  0.51  0.0  1.0
  Mg  Mg25  1  0.62  0.32  0.4  1.0
  Mg  Mg26  1  0.0  0.06  0.94  1.0
  Mg  Mg27  1  0.75  0.98  0.4  1.0
  Al  Al0  1  0.84  0.0  0.16  1.0
  Al  Al1  1  0.82  0.0  0.36  1.0
  Al  Al2  1  0.22  0.91  0.75  1.0
  Al  Al3  1  0.54  0.65  0.36  1.0
  Al  Al4  1  0.85  0.61  0.65  1.0
  Al  Al5  1  0.23  0.59  0.03  1.0
  Al  Al6  1  0.36  0.46  0.34  1.0
  Al  Al7  1  0.36  0.54  0.34  1.0
  Al  Al8  1  0.23  0.41  0.03  1.0
  Al  Al9  1  0.85  0.39  0.65  1.0
  Al  Al10  1  0.54  0.35  0.36  1.0
  Al  Al11  1  0.22  0.09  0.75  1.0
  N  N28  1  0.85  0.0  0.89  1.0

data_Mg16Al12N
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.14
_cell_angle_alpha   110.15
_cell_angle_beta   110.15
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg16Al12N
_chemical_formula_sum   'Mg16 Al12 N1'
_cell_volume   577.47
_cell_formula_units_Z   1
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  0.94  0.94  1.0
  Mg  Mg1  1  0.0  0.06  0.94  1.0
  Mg  Mg2  1  0.01  0.0  0.07  1.0
  Mg  Mg3  1  0.52  0.0  0.53  1.0
  Mg  Mg4  1  0.59  0.0  0.22  1.0
  Mg  Mg5  1  0.6  0.37  0.33  1.0
  Mg  Mg6  1  0.6  0.63  0.33  1.0
  Mg  Mg7  1  0.62  0.32  0.4  1.0
  Mg  Mg8  1  0.62  0.68  0.4  1.0
  Mg  Mg9  1  0.67  0.11  0.03  1.0
  Mg  Mg10  1  0.67  0.89  0.03  1.0
  Mg  Mg11  1  0.75  0.02  0.4  1.0
  Mg  Mg12  1  0.75  0.98  0.4  1.0
  Mg  Mg13  1  0.75  0.0  0.93  1.0
  Mg  Mg14  1  0.97  0.49  0.0  1.0
  Mg  Mg15  1  0.97  0.51  0.0  1.0
  Al  Al16  1  0.22  0.91  0.75  1.0
  Al  Al17  1  0.22  0.09  0.75  1.0
  Al  Al18  1  0.23  0.41  0.03  1.0
  Al  Al19  1  0.23  0.59  0.03  1.0
  Al  Al20  1  0.36  0.54  0.34  1.0
  Al  Al21  1  0.36  0.46  0.34  1.0
  Al  Al22  1  0.54  0.35  0.36  1.0
  Al  Al23  1  0.54  0.65  0.36  1.0
  Al  Al24  1  0.82  0.0  0.36  1.0
  Al  Al25  1  0.84  0.0  0.16  1.0
  Al  Al26  1  0.85  0.39  0.65  1.0
  Al  Al27  1  0.85  0.61  0.65  1.0
  N  N28  1  0.85  0.0  0.89  1.0

Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Al Al Al Al Al Al Al Al Al Al Al Al N