data_NaCrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrFe2
_chemical_formula_sum   'Na1 Cr1 Fe2'
_cell_volume   57.29
_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  Na3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.62  1.0
  Fe  Fe1  1  0.41  0.41  0.88  1.0
  Fe  Fe2  1  0.41  0.41  0.36  1.0

data_NaCrFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.98
_cell_length_b   3.98
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrFe2
_chemical_formula_sum   'Na2 Cr2 Fe4'
_cell_volume   114.58
_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  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.62  1.0
  Fe  Fe2  2  0.41  0.0  0.36  1.0
  Fe  Fe3  2  0.41  0.0  0.88  1.0

Na Cr Fe Fe
NaCrFe2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 3-coordinate geometry to one Cr(1), three equivalent Fe(1), and four equivalent Fe(2) atoms. The Na(1)-Cr(1) bond length is 2.73 Å. There is one shorter (1.83 Å) and two longer (2.20 Å) Na(1)-Fe(1) bond lengths. There are a spread of Na(1)-Fe(2) bond distances ranging from 3.10-3.54 Å. Cr(1) is bonded in a 13-coordinate geometry to one Na(1), four equivalent Cr(1), four equivalent Fe(1), and four equivalent Fe(2) atoms. All Cr(1)-Cr(1) bond lengths are 2.81 Å. There are a spread of Cr(1)-Fe(1) bond distances ranging from 2.47-3.01 Å. There are a spread of Cr(1)-Fe(2) bond distances ranging from 2.47-3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 3-coordinate geometry to three equivalent Na(1) and four equivalent Cr(1) atoms. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to four equivalent Na(1), four equivalent Cr(1), and four equivalent Fe(2) atoms. All Fe(2)-Fe(2) bond lengths are 2.81 Å.