data_Na2FeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2FeO3
_chemical_formula_sum   'Na8 Fe4 O12'
_cell_volume   338.76
_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  0.78  0.4  0.59  1.0
  Na  Na1  1  0.78  0.07  0.16  1.0
  Na  Na2  1  0.78  0.93  0.98  1.0
  Na  Na3  1  0.78  0.6  0.56  1.0
  Na  Na4  1  0.78  0.36  0.5  1.0
  Na  Na5  1  0.78  0.11  0.93  1.0
  Na  Na6  1  0.78  0.64  0.65  1.0
  Na  Na7  1  0.78  0.89  0.22  1.0
  Fe  Fe8  1  0.78  0.83  0.41  1.0
  Fe  Fe9  1  0.78  0.36  0.31  1.0
  Fe  Fe10  1  0.78  0.64  0.84  1.0
  Fe  Fe11  1  0.78  0.17  0.73  1.0
  O  O12  1  0.17  0.82  0.79  1.0
  O  O13  1  0.39  0.82  0.79  1.0
  O  O14  1  0.17  0.18  0.36  1.0
  O  O15  1  0.39  0.18  0.36  1.0
  O  O16  1  0.78  0.86  0.99  1.0
  O  O17  1  0.78  0.61  0.56  1.0
  O  O18  1  0.78  0.39  0.59  1.0
  O  O19  1  0.78  0.14  0.16  1.0
  O  O20  1  0.78  0.77  0.2  1.0
  O  O21  1  0.78  0.7  0.78  1.0
  O  O22  1  0.78  0.23  0.94  1.0
  O  O23  1  0.78  0.3  0.37  1.0

data_Na2FeO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.56
_cell_length_b   6.13
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2FeO3
_chemical_formula_sum   'Na8 Fe4 O12'
_cell_volume   338.76
_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  0.07  0.57  0.91  1.0
  Na  Na1  2  0.11  0.61  0.15  1.0
  Na  Na2  2  0.36  0.86  0.57  1.0
  Na  Na3  2  0.4  0.9  0.48  1.0
  Fe  Fe4  2  0.17  0.67  0.34  1.0
  Fe  Fe5  2  0.36  0.86  0.77  1.0
  O  O6  2  0.14  0.64  0.91  1.0
  O  O7  2  0.18  0.07  0.71  1.0
  O  O8  2  0.18  0.29  0.71  1.0
  O  O9  2  0.23  0.73  0.13  1.0
  O  O10  2  0.3  0.8  0.7  1.0
  O  O11  2  0.39  0.89  0.49  1.0

Na Na Na Na Na Na Na Na Fe Fe Fe Fe O O O O O O O O O O O O
Na Na Na Na Na Na Na Na Fe Fe Fe Fe O O O O O O O O O O O O 0 18 o o o 0 4 o o o 0 11 o o o 1 19 o o o 2 16 o o o 3 17 o o o 3 6 o o o 3 8 o o o 4 18 o o o 5 22 o o o 5 11 o o o 6 17 o o o 7 20 o o o 7 8 o o o 8 20 o o o 8 17 o o o 8 14 + + o 9 23 o o o 10 21 o o o 11 13 o - o 11 18 o o o 11 22 o o o 12 13 o o o 14 15 o o o 