data_[Na3Tm1Ti2Nb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  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 [5.4342]
_cell_length_b [5.6044]
_cell_length_c [7.7422]
_cell_angle_alpha [89.9914]
_cell_angle_beta [89.8971]
_cell_angle_gamma [88.8466]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3TmTi2Nb2O12]
_chemical_formula_sum '[Na3 Tm1 Ti2 Nb2 O12]'
_cell_volume [235.7449]
_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  0.4961  0.5294  0.7480  1.0
  Na  Na1  1  0.5114  0.4596  0.2504  1.0
  Na  Na2  1  0.9892  0.9977  0.7529  1.0
  Tm  Tm3  1  0.9902  0.9290  0.2506  1.0
  Ti  Ti4  1  0.0052  0.4726  0.4941  1.0
  Ti  Ti5  1  0.4848  0.9814  0.0080  1.0
  Nb  Nb6  1  0.0055  0.4739  0.9913  1.0
  Nb  Nb7  1  0.4900  0.9928  0.5094  1.0
  O  O8  1  0.0783  0.5362  0.2523  1.0
  O  O9  1  0.1975  0.8099  0.5219  1.0
  O  O10  1  0.2021  0.8074  0.9794  1.0
  O  O11  1  0.3006  0.3119  0.5352  1.0
  O  O12  1  0.3069  0.3045  0.9605  1.0
  O  O13  1  0.3935  0.0356  0.2465  1.0
  O  O14  1  0.5617  0.9830  0.7530  1.0
  O  O15  1  0.7180  0.7351  0.0540  1.0
  O  O16  1  0.7211  0.7339  0.4451  1.0
  O  O17  1  0.8122  0.2035  0.0557  1.0
  O  O18  1  0.8123  0.2080  0.4448  1.0
  O  O19  1  0.9233  0.4945  0.7467  1.0
]