data_Na2Mn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.85
_cell_length_c   7.71
_cell_angle_alpha   103.51
_cell_angle_beta   109.44
_cell_angle_gamma   111.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Mn3O7
_chemical_formula_sum   'Na4 Mn6 O14'
_cell_volume   290.73
_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  0.91  0.98  0.18  1.0
  Na  Na1  1  0.89  0.49  0.48  1.0
  Na  Na2  1  0.09  0.1  0.42  1.0
  Na  Na3  1  0.71  0.37  0.24  1.0
  Mn  Mn4  1  0.04  0.61  0.2  1.0
  Mn  Mn5  1  0.76  0.86  0.47  1.0
  Mn  Mn6  1  0.35  0.07  0.53  1.0
  Mn  Mn7  1  0.45  0.4  0.13  1.0
  Mn  Mn8  1  0.32  0.52  0.27  1.0
  Mn  Mn9  1  0.49  0.95  0.39  1.0
  O  O10  1  0.0  0.16  0.82  1.0
  O  O11  1  0.8  0.31  0.84  1.0
  O  O12  1  0.35  0.66  0.9  1.0
  O  O13  1  0.45  0.81  0.76  1.0
  O  O14  1  0.7  0.6  0.77  1.0
  O  O15  1  0.11  0.87  0.89  1.0
  O  O16  1  0.83  0.71  0.76  1.0
  O  O17  1  0.98  0.76  0.9  1.0
  O  O18  1  0.16  0.2  0.54  1.0
  O  O19  1  0.64  0.27  0.12  1.0
  O  O20  1  0.52  0.54  0.63  1.0
  O  O21  1  0.28  0.93  0.03  1.0
  O  O22  1  0.4  0.39  0.02  1.0
  O  O23  1  0.4  0.08  0.65  1.0

data_Na2Mn3O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.83
_cell_length_b   6.85
_cell_length_c   7.71
_cell_angle_alpha   103.51
_cell_angle_beta   109.44
_cell_angle_gamma   111.06
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Mn3O7
_chemical_formula_sum   'Na4 Mn6 O14'
_cell_volume   290.73
_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  0.31  0.14  0.91  1.0
  Na  Na1  2  0.49  0.25  0.15  1.0
  Mn  Mn2  2  0.05  0.17  0.8  1.0
  Mn  Mn3  2  0.08  0.71  0.06  1.0
  Mn  Mn4  2  0.36  0.62  0.14  1.0
  O  O5  2  0.0  0.84  0.31  1.0
  O  O6  2  0.05  0.58  0.43  1.0
  O  O7  2  0.12  0.31  0.3  1.0
  O  O8  2  0.24  0.04  0.79  1.0
  O  O9  2  0.3  0.37  0.44  1.0
  O  O10  2  0.4  0.08  0.51  1.0
  O  O11  2  0.42  0.48  0.43  1.0

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