data_NaFeN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFeN
_chemical_formula_sum   'Na2 Fe2 N2'
_cell_volume   89.49
_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
  Na  Na0  1  0.32  0.34  0.0  1.0
  Na  Na1  1  0.32  0.66  0.0  1.0
  Fe  Fe2  1  0.49  0.0  0.73  1.0
  Fe  Fe3  1  0.15  0.0  0.73  1.0
  N  N4  1  0.4  0.0  0.0  1.0
  N  N5  1  0.24  0.0  0.0  1.0

data_NaFeN
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.11
_cell_length_b   3.47
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   98.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   NaFeN
_chemical_formula_sum   'Na2 Fe2 N2'
_cell_volume   89.49
_cell_formula_units_Z   2
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  0.0  0.0  0.34  1.0
  Fe  Fe1  2  0.17  0.27  0.0  1.0
  N  N2  2  0.08  0.0  0.0  1.0

Na Na Fe Fe N N