data_Na3AlN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   8.48
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   117.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3AlN2
_chemical_formula_sum   'Na12 Al4 N8'
_cell_volume   420.18
_cell_formula_units_Z   4
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
  Na  Na0  1  0.6  0.01  0.04  1.0
  Na  Na1  1  0.9  0.25  0.77  1.0
  Na  Na2  1  0.91  0.47  0.59  1.0
  Na  Na3  1  0.62  0.23  0.86  1.0
  Na  Na4  1  0.11  0.28  0.71  1.0
  Na  Na5  1  0.41  0.04  0.74  1.0
  Na  Na6  1  0.4  0.21  0.92  1.0
  Na  Na7  1  0.1  0.45  0.89  1.0
  Na  Na8  1  0.62  0.52  0.22  1.0
  Na  Na9  1  0.9  0.76  0.23  1.0
  Na  Na10  1  0.89  0.96  0.41  1.0
  Na  Na11  1  0.61  0.72  0.4  1.0
  Al  Al12  1  0.76  0.55  0.22  1.0
  Al  Al13  1  0.77  0.79  0.22  1.0
  Al  Al14  1  0.75  0.94  0.41  1.0
  Al  Al15  1  0.75  0.7  0.41  1.0
  N  N16  1  0.12  0.46  0.41  1.0
  N  N17  1  0.41  0.7  0.03  1.0
  N  N18  1  0.4  0.03  0.21  1.0
  N  N19  1  0.11  0.79  0.6  1.0
  N  N20  1  0.78  0.46  0.99  1.0
  N  N21  1  0.75  0.7  0.45  1.0
  N  N22  1  0.74  0.03  0.63  1.0
  N  N23  1  0.76  0.78  0.18  1.0

data_Na3AlN2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.49
_cell_length_b   8.03
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.24
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3AlN2
_chemical_formula_sum   'Na12 Al4 N8'
_cell_volume   420.18
_cell_formula_units_Z   4
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
  Na  Na0  2  0.18  0.54  0.99  1.0
  Na  Na1  2  0.27  0.42  0.79  1.0
  Na  Na2  2  0.27  0.91  0.52  1.0
  Na  Na3  2  0.38  0.73  0.77  1.0
  Na  Na4  2  0.46  0.61  0.96  1.0
  Na  Na5  2  0.47  0.1  0.72  1.0
  Al  Al6  2  0.4  0.91  0.55  1.0
  Al  Al7  2  0.41  0.91  0.3  1.0
  N  N8  2  0.16  0.68  0.22  1.0
  N  N9  2  0.24  0.1  0.21  1.0
  N  N10  2  0.36  0.87  0.54  1.0
  N  N11  2  0.44  0.29  0.54  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Al Al Al Al N N N N N N N N
Na Na Na Na Na Na Na Na Na Na Na Na Al Al Al Al N N N N N N N N 0 6 o o - 0 5 o o - 0 18 o o o 0 23 o - o 0 13 o - o 0 3 o o - 1 4 + o o 1 7 + o o 1 2 o o o 1 22 o o o 2 21 o o o 2 15 o o o 2 16 + o o 2 7 + o o 2 4 + o o 3 5 o o o 3 6 o o o 3 20 o o o 4 7 o o o 4 6 o o o 5 6 o o o 5 22 o o o 7 20 - o o 8 12 o o o 8 17 o o o 8 20 o o - 9 23 o o o 9 13 o o o 10 14 o o o 10 19 + o o 10 22 o + o 11 21 o o o 11 15 o o o 12 16 + o o 12 17 o o o 12 20 o o - 13 23 o o o 13 17 o o o 14 18 o + o 14 19 + o o 14 22 o + o 15 21 o o o 15 19 + o o 17 23 o o o 19 21 - o o 