# generated using pymatgen data_SnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.81339825 _cell_length_b 10.31089823 _cell_length_c 11.97287896 _cell_angle_alpha 85.75502628 _cell_angle_beta 89.74109872 _cell_angle_gamma 90.95248506 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnO2 _chemical_formula_sum 'Sn34 O68' _cell_volume 1454.15151622 _cell_formula_units_Z 34 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 Sn Sn0 1 0.52904618 0.38423183 0.83501150 1.0 Sn Sn1 1 0.26764336 0.06570228 0.28393228 1.0 Sn Sn2 1 0.40158729 0.81446290 0.11198928 1.0 Sn Sn3 1 0.05039750 0.11648915 0.48699353 1.0 Sn Sn4 1 0.11118254 0.55637321 0.00181639 1.0 Sn Sn5 1 0.75904168 0.50875856 0.94651913 1.0 Sn Sn6 1 0.91721682 0.47263370 0.26128712 1.0 Sn Sn7 1 0.17511212 0.36075784 0.26090839 1.0 Sn Sn8 1 0.69553645 0.94366912 0.62708607 1.0 Sn Sn9 1 0.88205826 0.78647206 0.40218224 1.0 Sn Sn10 1 0.90724110 0.73872069 0.03177082 1.0 Sn Sn11 1 0.34387878 0.74726500 0.55166484 1.0 Sn Sn12 1 0.51881766 0.68235616 0.76497157 1.0 Sn Sn13 1 0.90252300 0.00243086 0.81171203 1.0 Sn Sn14 1 0.68052020 0.69697205 0.21247110 1.0 Sn Sn15 1 0.59251527 0.02503386 0.87929367 1.0 Sn Sn16 1 0.80928525 0.39793108 0.56626981 1.0 Sn Sn17 1 0.07934083 0.50343977 0.50309140 1.0 Sn Sn18 1 0.55477771 0.21504777 0.58672753 1.0 Sn Sn19 1 0.16781122 0.95213673 0.02072908 1.0 Sn Sn20 1 0.90875031 0.69781497 0.67900671 1.0 Sn Sn21 1 0.34226376 0.41984832 0.49008369 1.0 Sn Sn22 1 0.61823654 0.34732258 0.33562481 1.0 Sn Sn23 1 0.17428634 0.88582525 0.79820656 1.0 Sn Sn24 1 0.97371760 0.24345442 0.03802769 1.0 Sn Sn25 1 0.59798990 0.66226338 0.47510206 1.0 Sn Sn26 1 0.17655481 0.72444327 0.30213872 1.0 Sn Sn27 1 0.69921272 0.24691060 0.12018200 1.0 Sn Sn28 1 0.56107712 0.97967813 0.35272577 1.0 Sn Sn29 1 0.40889424 0.48817992 0.14972033 1.0 Sn Sn30 1 0.34204940 0.21411607 0.00375183 1.0 Sn Sn31 1 0.04853627 0.31336275 0.76919873 1.0 Sn Sn32 1 0.28284087 0.17838434 0.73948801 1.0 Sn Sn33 1 0.93208996 0.98247449 0.20205662 1.0 O O34 1 0.13418278 0.17231279 0.32649574 1.0 O O35 1 0.44899807 0.57056393 0.53402666 1.0 O O36 1 0.29810448 0.98651949 0.71585197 1.0 O O37 1 0.21828648 0.38940615 0.73758196 1.0 O O38 1 0.97500403 0.44990544 0.65568919 1.0 O O39 1 0.98992400 0.67730669 0.51203605 1.0 O O40 1 0.51172985 0.65494047 0.12826195 1.0 O O41 1 0.19381714 0.97895830 0.43536361 1.0 O O42 1 0.48920474 0.32253766 0.44742751 1.0 O O43 1 0.64837617 0.34140987 0.95297740 1.0 O O44 1 0.68871267 0.81023730 0.36520823 1.0 O O45 1 0.83729062 0.83152333 0.15807313 1.0 O O46 1 0.63335215 0.88131110 0.13533646 1.0 O O47 1 0.64207342 0.56449514 0.82937612 1.0 O O48 1 0.95173109 0.17840551 0.87149267 1.0 O O49 1 0.93214228 0.40882790 0.43778035 1.0 O O50 1 0.54430384 0.36570815 0.18216939 1.0 O O51 1 0.41681106 0.07755816 0.34869471 1.0 O O52 1 0.30478625 0.67342168 0.19648592 1.0 O O53 1 0.38168466 0.25356008 0.61346417 1.0 O O54 1 0.47547507 0.80663344 0.42505594 1.0 O O55 1 0.41450861 0.39459329 0.99574773 1.0 O O56 1 0.93522663 0.92171527 0.96272165 1.0 O O57 1 0.57231770 0.05337555 0.70648578 1.0 O O58 1 0.64274782 0.14803346 0.27778312 1.0 O O59 1 0.83757855 0.36125983 0.03235546 1.0 O O60 1 0.23643381 0.90338952 0.19910951 1.0 O O61 1 0.84553335 0.12622256 0.11515636 1.0 O O62 1 0.61154568 0.04575541 0.50213428 1.0 O O63 1 0.52636679 0.92544732 0.18360694 1.0 O O64 1 0.70015131 0.28818795 0.48505210 1.0 O O65 1 0.81949642 0.11221787 0.68122627 1.0 O O66 1 0.74048973 0.57656820 0.55566253 1.0 O O67 1 0.88478698 0.22959081 0.64376583 1.0 O O68 1 0.60429116 0.55836383 0.33387091 1.0 O O69 1 0.82897931 0.63069181 0.30964008 1.0 O O70 1 0.38880954 0.78040615 0.94093589 1.0 O O71 1 0.34787881 0.00841909 0.03240461 1.0 O O72 1 0.59731884 0.77130695 0.62764774 1.0 O O73 1 0.49833314 0.82045553 0.88277032 1.0 O O74 1 0.01587475 0.32991793 0.19051704 1.0 O O75 1 0.76707238 0.37336337 0.24281650 1.0 O O76 1 0.96977978 0.56875195 0.10759872 1.0 O O77 1 0.43574144 0.20520380 0.85057396 1.0 O O78 1 0.89228657 0.98693545 0.36396138 1.0 O O79 1 0.06557295 0.07269857 0.10619507 1.0 O O80 1 0.12733444 0.60965838 0.82966955 1.0 O O81 1 0.01332876 0.89079132 0.72876709 1.0 O O82 1 0.20864320 0.83985985 0.44693352 1.0 O O83 1 0.82701729 0.84603185 0.56209773 1.0 O O84 1 0.22459531 0.46577181 0.10498781 1.0 O O85 1 0.74374759 0.63620933 0.06670923 1.0 O O86 1 0.17712482 0.34942790 0.45528623 1.0 O O87 1 0.88955065 0.63058694 0.89348565 1.0 O O88 1 0.42409972 0.52352810 0.77267459 1.0 O O89 1 0.20978999 0.18097812 0.90119070 1.0 O O90 1 0.05661809 0.38405476 0.93225012 1.0 O O91 1 0.11560618 0.16758000 0.68244404 1.0 O O92 1 0.27827828 0.21833758 0.16222312 1.0 O O93 1 0.62193231 0.33447814 0.69723108 1.0 O O94 1 0.33384189 0.42613245 0.30393436 1.0 O O95 1 0.21688476 0.69609681 0.78764959 1.0 O O96 1 0.74505835 0.91168737 0.79491976 1.0 O O97 1 0.08653790 0.53783815 0.31025172 1.0 O O98 1 0.23620374 0.61338646 0.45430669 1.0 O O99 1 0.22553156 0.47510510 0.63395110 1.0 O O100 1 0.02482822 0.81401738 0.28387252 1.0 O O101 1 0.10151999 0.75594201 0.03460462 1.0