data_NaSrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrFe2
_chemical_formula_sum   'Na1 Sr1 Fe2'
_cell_volume   93.69
_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
  Na  Na2  1  0.0  0.0  0.7  1.0
  Sr  Sr3  1  0.65  0.65  0.05  1.0
  Fe  Fe0  1  0.0  0.0  0.67  1.0
  Fe  Fe1  1  0.65  0.65  0.51  1.0

data_NaSrFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaSrFe2
_chemical_formula_sum   'Na2 Sr2 Fe4'
_cell_volume   187.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.7  1.0
  Sr  Sr1  2  0.15  0.5  0.05  1.0
  Fe  Fe2  2  0.0  0.0  0.67  1.0
  Fe  Fe3  2  0.15  0.5  0.51  1.0

Na Sr Fe Fe
NaSrFe2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Sr(1) and one Fe(1) atom. The Na(1)-Sr(1) bond length is 3.36 Å. The Na(1)-Fe(1) bond length is 0.31 Å. Sr(1) is bonded in a 6-coordinate geometry to one Na(1), four equivalent Sr(1), and one Fe(2) atom. All Sr(1)-Sr(1) bond lengths are 3.30 Å. The Sr(1)-Fe(2) bond length is 3.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Fe(2) atoms. There is one shorter (2.16 Å) and two longer (2.81 Å) Fe(1)-Fe(2) bond lengths. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Sr(1) and three equivalent Fe(1) atoms.