data_NaMgN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   3.75
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgN
_chemical_formula_sum   'Na4 Mg4 N4'
_cell_volume   154.31
_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  0.61  0.94  0.25  1.0
  Na  Na1  1  0.29  0.94  0.06  1.0
  Na  Na2  1  0.03  0.81  0.96  1.0
  Na  Na3  1  0.35  0.81  0.14  1.0
  Mg  Mg4  1  0.28  0.94  0.58  1.0
  Mg  Mg5  1  0.96  0.94  0.52  1.0
  Mg  Mg6  1  0.36  0.81  0.62  1.0
  Mg  Mg7  1  0.68  0.81  0.69  1.0
  N  N8  1  0.41  0.94  0.69  1.0
  N  N9  1  0.09  0.94  0.41  1.0
  N  N10  1  0.23  0.81  0.52  1.0
  N  N11  1  0.55  0.81  0.79  1.0

data_NaMgN
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.75
_cell_length_b   6.21
_cell_length_c   6.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaMgN
_chemical_formula_sum   'Na4 Mg4 N4'
_cell_volume   154.31
_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  0.44  0.04  0.03  1.0
  Na  Na1  2  0.44  0.86  0.71  1.0
  Mg  Mg2  2  0.44  0.52  0.04  1.0
  Mg  Mg3  2  0.44  0.58  0.36  1.0
  N  N4  2  0.44  0.41  0.91  1.0
  N  N5  2  0.44  0.69  0.23  1.0

Na Na Na Na Mg Mg Mg Mg N N N N