# generated using pymatgen
data_Ba3LiTi5Nb3O21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24185800
_cell_length_b   9.27432272
_cell_length_c   11.67655065
_cell_angle_alpha   89.85954771
_cell_angle_beta   89.85190439
_cell_angle_gamma   60.38836304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiTi5Nb3O21
_chemical_formula_sum   'Ba6 Li2 Ti10 Nb6 O42'
_cell_volume   870.10396895
_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  0.60137600  0.40445100  0.74766900  1
  Ba  Ba1  1  0.39859800  0.99915300  0.75404000  1
  Ba  Ba2  1  0.59785900  0.99973400  0.24293200  1
  Ba  Ba3  1  0.99179300  0.40182300  0.25289600  1
  Ba  Ba4  1  0.00414700  0.59313900  0.74371000  1
  Ba  Ba5  1  0.40371600  0.59612300  0.24967300  1
  Li  Li6  1  0.01283100  0.99783300  0.73870500  1
  Li  Li7  1  0.98892800  0.00848100  0.24617900  1
  Ti  Ti8  1  0.74574000  0.26638800  0.09093000  1
  Ti  Ti9  1  0.73907000  0.25803200  0.40950600  1
  Ti  Ti10  1  0.26824400  0.74030300  0.59075800  1
  Ti  Ti11  1  0.67270800  0.65468100  0.49508500  1
  Ti  Ti12  1  0.24880000  0.00262700  0.08658500  1
  Ti  Ti13  1  0.99654600  0.26001400  0.90967400  1
  Ti  Ti14  1  0.98627000  0.26086900  0.58996200  1
  Ti  Ti15  1  0.74692600  0.01688100  0.90978500  1
  Ti  Ti16  1  0.00413500  0.73665400  0.41023300  1
  Ti  Ti17  1  0.25316600  0.74707300  0.90780100  1
  Nb  Nb18  1  0.65964300  0.67676000  0.99455100  1
  Nb  Nb19  1  0.25613300  0.99486400  0.41184000  1
  Nb  Nb20  1  0.74657500  0.99192700  0.58873600  1
  Nb  Nb21  1  0.32888300  0.33625500  0.50457000  1
  Nb  Nb22  1  0.33776500  0.33050400  0.99958600  1
  Nb  Nb23  1  0.00113100  0.74557400  0.08835300  1
  O  O24  1  0.99691000  0.20866100  0.07117500  1
  O  O25  1  0.68004800  0.48708700  0.10290900  1
  O  O26  1  0.68678100  0.48597300  0.39929600  1
  O  O27  1  0.83109200  0.48382700  0.60090300  1
  O  O28  1  0.83316500  0.48593100  0.90081500  1
  O  O29  1  0.20595500  0.78787700  0.07237100  1
  O  O30  1  0.21818900  0.78494600  0.42961200  1
  O  O31  1  0.48371200  0.68777100  0.89292600  1
  O  O32  1  0.48826400  0.67849800  0.59905700  1
  O  O33  1  0.47717100  0.83246000  0.09946300  1
  O  O34  1  0.49069400  0.83196500  0.40055200  1
  O  O35  1  0.19751800  0.99604000  0.24955600  1
  O  O36  1  0.20500800  0.99469800  0.92856100  1
  O  O37  1  0.20782600  0.99368300  0.57771200  1
  O  O38  1  0.82806000  0.68510000  0.10852000  1
  O  O39  1  0.83585600  0.68255200  0.40557500  1
  O  O40  1  0.68405000  0.83998100  0.90537700  1
  O  O41  1  0.68201400  0.82917300  0.60847000  1
  O  O42  1  0.99572600  0.20744600  0.75135100  1
  O  O43  1  0.00583500  0.20372600  0.42889100  1
  O  O44  1  0.32125200  0.16681100  0.39672400  1
  O  O45  1  0.31512500  0.16271900  0.10017900  1
  O  O46  1  0.16551500  0.31335300  0.59886600  1
  O  O47  1  0.16822900  0.31418400  0.89842400  1
  O  O48  1  0.80607100  0.99281300  0.07051900  1
  O  O49  1  0.77713600  0.01093400  0.42403700  1
  O  O50  1  0.80597000  0.00223200  0.75176000  1
  O  O51  1  0.51278400  0.17107500  0.60614800  1
  O  O52  1  0.51841900  0.16646900  0.89510300  1
  O  O53  1  0.51482200  0.32378600  0.40222300  1
  O  O54  1  0.52019100  0.30656900  0.10229100  1
  O  O55  1  0.79276700  0.21151600  0.25090200  1
  O  O56  1  0.78343400  0.21269000  0.92869900  1
  O  O57  1  0.79500400  0.20873200  0.57103700  1
  O  O58  1  0.16895200  0.51536400  0.39641800  1
  O  O59  1  0.16932700  0.50956700  0.10545800  1
  O  O60  1  0.32276900  0.51493500  0.90412100  1
  O  O61  1  0.30915400  0.51710400  0.60542900  1
  O  O62  1  0.00706900  0.78077700  0.92251800  1
  O  O63  1  0.99433300  0.79846100  0.56846700  1
  O  O64  1  0.00014600  0.80130000  0.25355700  1
  O  O65  1  0.20667600  0.79107100  0.75027000  1
