# generated using pymatgen
data_Ba3LiTi5Nb3O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24076164
_cell_length_b   9.24076164
_cell_length_c   11.74593300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.28878902
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiTi5Nb3O21
_chemical_formula_sum   'Ba6 Li2 Ti10 Nb6 O42'
_cell_volume   866.08896894
_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
  Ba  Ba0  1  0.40487600  0.99676300  0.75012700  1
  Ba  Ba1  1  0.59512400  0.00323700  0.25012700  1
  Ba  Ba2  1  0.99676300  0.40487600  0.75012700  1
  Ba  Ba3  1  0.00323700  0.59512400  0.25012700  1
  Ba  Ba4  1  0.40279800  0.40279800  0.25122200  1
  Ba  Ba5  1  0.59720200  0.59720200  0.75122200  1
  Li  Li6  1  0.99477800  0.99477800  0.75405600  1
  Li  Li7  1  0.00522200  0.00522200  0.25405600  1
  Ti  Ti8  1  0.25141500  0.99995000  0.08939000  1
  Ti  Ti9  1  0.24593500  0.99532700  0.40668000  1
  Ti  Ti10  1  0.74858500  0.00005000  0.58939000  1
  Ti  Ti11  1  0.75406500  0.00467300  0.90668000  1
  Ti  Ti12  1  0.99532700  0.24593500  0.40668000  1
  Ti  Ti13  1  0.99995000  0.25141500  0.08939000  1
  Ti  Ti14  1  0.24807400  0.24807400  0.91554000  1
  Ti  Ti15  1  0.00005000  0.74858500  0.58939000  1
  Ti  Ti16  1  0.00467300  0.75406500  0.90668000  1
  Ti  Ti17  1  0.75192600  0.75192600  0.41554000  1
  Nb  Nb18  1  0.66649300  0.33059600  0.99723700  1
  Nb  Nb19  1  0.66940400  0.33350700  0.49723700  1
  Nb  Nb20  1  0.24591700  0.24591700  0.59074300  1
  Nb  Nb21  1  0.33059600  0.66649300  0.99723700  1
  Nb  Nb22  1  0.33350700  0.66940400  0.49723700  1
  Nb  Nb23  1  0.75408300  0.75408300  0.09074300  1
  O  O24  1  0.20209500  0.99863700  0.92682000  1
  O  O25  1  0.20482200  0.00114600  0.57363200  1
  O  O26  1  0.20241100  0.99853500  0.24936700  1
  O  O27  1  0.48066000  0.16645000  0.10094900  1
  O  O28  1  0.47880500  0.16704100  0.40135700  1
  O  O29  1  0.79758900  0.00146500  0.74936700  1
  O  O30  1  0.79790500  0.00136300  0.42682000  1
  O  O31  1  0.79517800  0.99885400  0.07363200  1
  O  O32  1  0.47951200  0.31295200  0.89974200  1
  O  O33  1  0.48493700  0.31630100  0.60384000  1
  O  O34  1  0.68647400  0.16852700  0.89589100  1
  O  O35  1  0.68815700  0.16852000  0.59974700  1
  O  O36  1  0.83148000  0.31184300  0.09974700  1
  O  O37  1  0.83147300  0.31352600  0.39589100  1
  O  O38  1  0.68704800  0.52048800  0.39974200  1
  O  O39  1  0.68369900  0.51506300  0.10384000  1
  O  O40  1  0.99863700  0.20209500  0.92682000  1
  O  O41  1  0.00114600  0.20482200  0.57363200  1
  O  O42  1  0.99853500  0.20241100  0.24936700  1
  O  O43  1  0.83295900  0.52119500  0.90135700  1
  O  O44  1  0.83355000  0.51934000  0.60094900  1
  O  O45  1  0.19997500  0.19997500  0.42253000  1
  O  O46  1  0.20362500  0.20362500  0.07425400  1
  O  O47  1  0.19678700  0.19678700  0.75210700  1
  O  O48  1  0.16645000  0.48066000  0.10094900  1
  O  O49  1  0.16704100  0.47880500  0.40135700  1
  O  O50  1  0.00146500  0.79758900  0.74936700  1
  O  O51  1  0.00136300  0.79790500  0.42682000  1
  O  O52  1  0.99885400  0.79517800  0.07363200  1
  O  O53  1  0.31295200  0.47951200  0.89974200  1
  O  O54  1  0.31630100  0.48493700  0.60384000  1
  O  O55  1  0.16852000  0.68815700  0.59974700  1
  O  O56  1  0.16852700  0.68647400  0.89589100  1
  O  O57  1  0.31352600  0.83147300  0.39589100  1
  O  O58  1  0.31184300  0.83148000  0.09974700  1
  O  O59  1  0.52048800  0.68704800  0.39974200  1
  O  O60  1  0.51506300  0.68369900  0.10384000  1
  O  O61  1  0.51934000  0.83355000  0.60094900  1
  O  O62  1  0.52119500  0.83295900  0.90135700  1
  O  O63  1  0.80321300  0.80321300  0.25210700  1
  O  O64  1  0.79637500  0.79637500  0.57425400  1
  O  O65  1  0.80002500  0.80002500  0.92253000  1
