data_[Ba3Na7Ti3Nb7O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  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 [Pm]
_cell_length_a [8.0353]
_cell_length_b [4.0179]
_cell_length_c [20.1054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ba3Na7Ti3Nb7O30]
_chemical_formula_sum '[Ba3 Na7 Ti3 Nb7 O30]'
_cell_volume [649.0934]
_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
[
  Ba  Ba0  1  0.0049  0.0000  0.8015  1
  Ba  Ba1  1  0.4949  0.0000  0.8015  1
  Ba  Ba2  1  0.4987  0.0000  0.9961  1
  Na  Na3  1  0.0007  0.0000  0.9972  1
  Na  Na4  1  0.0010  0.0000  0.2012  1
  Na  Na5  1  0.0016  0.0000  0.4003  1
  Na  Na6  1  0.0045  0.0000  0.6005  1
  Na  Na7  1  0.4955  0.0000  0.6005  1
  Na  Na8  1  0.4983  0.0000  0.4003  1
  Na  Na9  1  0.4990  0.0000  0.2011  1
  Ti  Ti10  1  0.2440  0.5000  0.9000  1
  Ti  Ti11  1  0.2499  0.5000  0.6971  1
  Ti  Ti12  1  0.7571  0.5000  0.9022  1
  Nb  Nb13  1  0.2464  0.5000  0.1011  1
  Nb  Nb14  1  0.2500  0.5000  0.5032  1
  Nb  Nb15  1  0.2500  0.5000  0.3020  1
  Nb  Nb16  1  0.7500  0.5000  0.2997  1
  Nb  Nb17  1  0.7500  0.5000  0.4986  1
  Nb  Nb18  1  0.7501  0.5000  0.6970  1
  Nb  Nb19  1  0.7536  0.5000  0.1009  1
  O  O20  1  0.0007  0.5000  0.6994  1
  O  O21  1  0.2488  0.0000  0.9007  1
  O  O22  1  0.2491  0.5000  0.8004  1
  O  O23  1  0.2495  0.5000  0.1999  1
  O  O24  1  0.2498  0.0000  0.1004  1
  O  O25  1  0.2499  0.0000  0.6993  1
  O  O26  1  0.2500  0.5000  0.5998  1
  O  O27  1  0.2500  0.0000  0.4994  1
  O  O28  1  0.2500  0.0000  0.2993  1
  O  O29  1  0.2500  0.5000  0.3995  1
  O  O30  1  0.2502  0.5000  0.0009  1
  O  O31  1  0.4992  0.5000  0.6994  1
  O  O32  1  0.5001  0.5000  0.4997  1
  O  O33  1  0.5002  0.5000  0.9009  1
  O  O34  1  0.5008  0.5000  0.2995  1
  O  O35  1  0.5009  0.5000  0.1002  1
  O  O36  1  0.7500  0.5000  0.3999  1
  O  O37  1  0.7500  0.0000  0.2998  1
  O  O38  1  0.7500  0.5000  0.0007  1
  O  O39  1  0.7500  0.0000  0.5001  1
  O  O40  1  0.7500  0.5000  0.5990  1
  O  O41  1  0.7500  0.0000  0.6994  1
  O  O42  1  0.7503  0.0000  0.1005  1
  O  O43  1  0.7504  0.5000  0.2001  1
  O  O44  1  0.7507  0.5000  0.7996  1
  O  O45  1  0.7511  0.0000  0.9004  1
  O  O46  1  0.9992  0.5000  0.1007  1
  O  O47  1  0.9992  0.5000  0.2995  1
  O  O48  1  0.9994  0.5000  0.9002  1
  O  O49  1  0.9999  0.5000  0.4997  1
]