data_[Na1Nd3Ti3Mn1O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4936]
_cell_length_b [5.6979]
_cell_length_c [7.8665]
_cell_angle_alpha [89.7200]
_cell_angle_beta [89.8077]
_cell_angle_gamma [89.7074]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNd3Ti3MnO12]
_chemical_formula_sum '[Na1 Nd3 Ti3 Mn1 O12]'
_cell_volume [246.2310]
_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  Na0  1  0.5012  0.4727  0.2419  1.0
  Nd  Nd1  1  0.0175  0.9366  0.2442  1.0
  Nd  Nd2  1  0.5127  0.5594  0.7600  1.0
  Nd  Nd3  1  0.9889  0.0534  0.7569  1.0
  Ti  Ti4  1  0.0291  0.4940  0.4885  1.0
  Ti  Ti5  1  0.5003  0.0067  0.0145  1.0
  Ti  Ti6  1  0.5148  0.0176  0.5038  1.0
  Mn  Mn7  1  0.0015  0.4942  0.0076  1.0
  O  O8  1  0.0896  0.4729  0.7352  1.0
  O  O9  1  0.1941  0.1933  0.4584  1.0
  O  O10  1  0.1978  0.1754  0.0335  1.0
  O  O11  1  0.2805  0.7096  0.4572  1.0
  O  O12  1  0.3078  0.7220  0.0382  1.0
  O  O13  1  0.4112  0.9759  0.7398  1.0
  O  O14  1  0.5846  0.0271  0.2539  1.0
  O  O15  1  0.6916  0.2757  0.9402  1.0
  O  O16  1  0.7032  0.2804  0.5559  1.0
  O  O17  1  0.7789  0.7969  0.5484  1.0
  O  O18  1  0.7819  0.8063  0.9529  1.0
  O  O19  1  0.9129  0.5299  0.2686  1.0
]