data_[Na3Sm1Ti2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4925]
_cell_length_b [5.5874]
_cell_length_c [7.8315]
_cell_angle_alpha [89.8844]
_cell_angle_beta [89.9663]
_cell_angle_gamma [89.7386]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3SmTi2Nb2O12]
_chemical_formula_sum '[Na3 Sm1 Ti2 Nb2 O12]'
_cell_volume [240.3366]
_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  0.0039  0.0182  0.7498  1.0
  Na  Na1  1  0.4933  0.5209  0.7493  1.0
  Na  Na2  1  0.5061  0.4727  0.2502  1.0
  Sm  Sm3  1  0.9934  0.9476  0.2500  1.0
  Ti  Ti4  1  0.0031  0.4830  0.4951  1.0
  Ti  Ti5  1  0.4968  0.9852  0.0056  1.0
  Nb  Nb6  1  0.0043  0.4832  0.9874  1.0
  Nb  Nb7  1  0.4967  0.9944  0.5119  1.0
  O  O8  1  0.0702  0.5232  0.2531  1.0
  O  O9  1  0.2073  0.7953  0.5249  1.0
  O  O10  1  0.2096  0.7990  0.9760  1.0
  O  O11  1  0.2849  0.2949  0.5339  1.0
  O  O12  1  0.2900  0.2912  0.9649  1.0
  O  O13  1  0.4174  0.0201  0.2467  1.0
  O  O14  1  0.5661  0.9854  0.7532  1.0
  O  O15  1  0.7214  0.7341  0.0482  1.0
  O  O16  1  0.7254  0.7311  0.4522  1.0
  O  O17  1  0.7910  0.2135  0.0468  1.0
  O  O18  1  0.7955  0.2160  0.4536  1.0
  O  O19  1  0.9237  0.4911  0.7471  1.0
]