data_NaFe2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   7.82
_cell_angle_alpha   90.66
_cell_angle_beta   90.66
_cell_angle_gamma   59.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2O3
_chemical_formula_sum   'Na1 Fe2 O3'
_cell_volume   62.36
_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  0.95  0.0  0.91  1.0
  Fe  Fe0  1  0.75  0.0  0.31  1.0
  Fe  Fe1  1  0.41  0.0  0.5  1.0
  O  O3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.45  0.0  0.34  1.0
  O  O5  1  0.71  0.0  0.48  1.0

data_NaFe2O3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.04
_cell_length_b   5.25
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFe2O3
_chemical_formula_sum   'Na2 Fe4 O6'
_cell_volume   124.71
_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  0.05  0.0  0.09  1.0
  Fe  Fe1  2  0.09  0.5  0.5  1.0
  Fe  Fe2  2  0.25  0.0  0.69  1.0
  O  O3  2  0.0  0.0  0.0  1.0
  O  O4  2  0.05  0.5  0.66  1.0
  O  O5  2  0.29  0.0  0.52  1.0

Na Fe Fe O O O