# generated using pymatgen data_Ba6Tb3Nb(SnO9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09580627 _cell_length_b 6.09117173 _cell_length_c 55.08277305 _cell_angle_alpha 60.18829155 _cell_angle_beta 60.09771492 _cell_angle_gamma 60.01249936 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba6Tb3Nb(SnO9)2 _chemical_formula_sum 'Ba18 Tb9 Nb3 Sn6 O54' _cell_volume 1449.46853173 _cell_formula_units_Z 3 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 Tb Tb0 1 0.00661131 0.00883164 0.99747322 1.0 Tb Tb1 1 0.50448783 0.50583106 0.05386796 1.0 Tb Tb2 1 -0.00031219 0.99897317 0.11133951 1.0 Tb Tb3 1 0.49792493 0.49817515 0.16735167 1.0 Tb Tb4 1 0.99671156 0.99706716 0.22322384 1.0 Tb Tb5 1 0.49452215 0.49356106 0.27972013 1.0 Tb Tb6 1 0.98970226 0.98649597 0.33722951 1.0 Tb Tb7 1 0.99395413 0.99414902 0.44645591 1.0 Tb Tb8 1 0.00110573 0.00269944 0.88822047 1.0 Ba Ba9 1 0.23966455 0.24166046 0.03095976 1.0 Ba Ba10 1 0.24883225 0.24773134 0.13942130 1.0 Ba Ba11 1 0.74712623 0.74610894 0.08440384 1.0 Ba Ba12 1 0.24290971 0.24295478 0.25234604 1.0 Ba Ba13 1 0.24300972 0.24014353 0.36381036 1.0 Ba Ba14 1 0.74556881 0.74665740 0.19580549 1.0 Ba Ba15 1 0.74286146 0.73970570 0.30830623 1.0 Ba Ba16 1 0.25191783 0.25347853 0.47143586 1.0 Ba Ba17 1 0.74741282 0.74848829 0.41745602 1.0 Ba Ba18 1 0.25610905 0.25634555 0.58128421 1.0 Ba Ba19 1 0.24590250 0.24618482 0.69577773 1.0 Ba Ba20 1 0.75569177 0.75657599 0.52578987 1.0 Ba Ba21 1 0.75430216 0.75464783 0.63742956 1.0 Ba Ba22 1 0.25656069 0.25623758 0.80337822 1.0 Ba Ba23 1 0.24592412 0.24584820 0.91800104 1.0 Ba Ba24 1 0.74839858 0.74835860 0.75053042 1.0 Ba Ba25 1 0.74657054 0.74598142 0.86229163 1.0 Ba Ba26 1 0.74183196 0.74381395 0.97469840 1.0 Nb Nb27 1 0.00011770 0.00015781 0.66665427 1.0 Nb Nb28 1 0.50436032 0.50424118 0.83188988 1.0 Nb Nb29 1 0.50524312 0.50647792 0.94253332 1.0 Sn Sn30 1 0.49228292 0.49093823 0.39164118 1.0 Sn Sn31 1 0.49408508 0.49472896 0.50188130 1.0 Sn Sn32 1 0.99680605 0.99635661 0.55670302 1.0 Sn Sn33 1 0.49910415 0.49897274 0.61150366 1.0 Sn Sn34 1 0.50146958 0.50194083 0.72167078 1.0 Sn Sn35 1 0.00218690 0.00293069 0.77689471 1.0 O O36 1 0.25082501 0.25326796 0.08155078 1.0 O O37 1 0.26984395 0.76118259 0.02343505 1.0 O O38 1 0.75912907 0.27096144 0.02346428 1.0 O O39 1 0.25194006 0.76061946 0.08170706 1.0 O O40 1 0.76185198 0.25319037 0.08154948 1.0 O O41 1 0.75843848 0.76117955 0.02345343 1.0 O O42 1 0.24851255 0.24711357 0.19463461 1.0 O O43 1 0.25670441 0.74808224 0.13822788 1.0 O O44 1 0.74938536 0.25394052 0.13855200 1.0 O O45 1 0.24767565 0.75439580 0.19446558 1.0 O O46 1 0.75271226 0.24700715 0.19464254 1.0 O O47 1 0.75084461 0.74802617 0.13824219 1.0 O O48 1 0.24051384 0.24286351 0.30728866 1.0 O O49 1 0.25135683 0.74697649 0.25067676 1.0 O O50 1 0.74631533 0.25183358 0.25063927 1.0 O O51 1 0.24251333 0.74642205 0.30760537 1.0 O O52 1 0.75093265 0.24304560 0.30726452 1.0 O O53 1 0.74580692 0.74716942 0.25065844 1.0 O O54 1 0.25140105 0.25182021 0.41811912 1.0 O O55 1 0.25578038 0.73167819 0.36462699 1.0 O O56 1 0.73256463 0.24816065 0.36519483 1.0 O O57 1 0.25174456 0.73226092 0.41828672 1.0 O O58 1 0.73410875 0.25178079 0.41811971 1.0 O O59 1 0.73100896 0.73158786 0.36462510 1.0 O O60 1 0.23700239 0.23704654 0.53237362 1.0 O O61 1 0.24267596 0.73080634 0.47738025 1.0 O O62 1 0.73048457 0.24238281 0.47741528 1.0 O O63 1 0.23709456 0.73407491 0.53241353 1.0 O O64 1 0.73438897 0.23730991 0.53233904 1.0 O O65 1 0.73028063 0.73088822 0.47737628 1.0 O O66 1 0.23661116 0.23630877 0.64180291 1.0 O O67 1 0.23087061 0.73950954 0.58773862 1.0 O O68 1 0.73895296 0.23118768 0.58785988 1.0 O O69 1 0.23681137 0.74972721 0.64181301 1.0 O O70 1 0.75002320 0.23669137 0.64177454 1.0 O O71 1 0.73969803 0.73941510 0.58774464 1.0 O O72 1 0.24492614 0.75618756 0.69358309 1.0 O O73 1 0.25649016 0.25653028 0.74786306 1.0 O O74 1 0.75714906 0.24378610 0.69352017 1.0 O O75 1 0.25641127 0.75644640 0.74785949 1.0 O O76 1 0.75632528 0.25647565 0.74786184 1.0 O O77 1 0.75655511 0.75633166 0.69356355 1.0 O O78 1 0.28033902 0.28070977 0.85428467 1.0 O O79 1 0.26538967 0.75834301 0.80201655 1.0 O O80 1 0.75830486 0.26553060 0.80199073 1.0 O O81 1 0.28056581 0.75074423 0.85424790 1.0 O O82 1 0.75046174 0.28073554 0.85428162 1.0 O O83 1 0.75826884 0.75845563 0.80200630 1.0 O O84 1 0.28490623 0.75038457 0.91278703 1.0 O O85 1 0.27925682 0.28081751 0.96471322 1.0 O O86 1 0.75003193 0.28506158 0.91276641 1.0 O O87 1 0.27939476 0.75886648 0.96470665 1.0 O O88 1 0.74985578 0.75065467 0.91275321 1.0 O O89 1 0.75760417 0.28057270 0.96475221 1.0