# generated using pymatgen data_TiCo3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51481200 _cell_length_b 7.55066701 _cell_length_c 18.72072745 _cell_angle_alpha 89.97324029 _cell_angle_beta 89.97774978 _cell_angle_gamma 89.99666879 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCo3O8 _chemical_formula_sum 'Ti8 Co24 O64' _cell_volume 1062.24838167 _cell_formula_units_Z 8 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 Ti Ti0 1 0.99282000 0.74308300 0.87469100 1.0 Ti Ti1 1 0.49863600 0.24069400 0.88333200 1.0 Ti Ti2 1 0.76846700 0.74189300 0.74414400 1.0 Ti Ti3 1 0.26050200 0.24779300 0.75196900 1.0 Ti Ti4 1 0.49437800 0.00176800 0.01184000 1.0 Ti Ti5 1 0.99756000 0.50102700 0.00431700 1.0 Ti Ti6 1 0.75159600 0.50426800 0.61322300 1.0 Ti Ti7 1 0.25356900 0.01080400 0.62027500 1.0 Co Co8 1 0.74676000 0.00394900 0.62232700 1.0 Co Co9 1 0.99748800 0.00151200 0.49407100 1.0 Co Co10 1 0.48702600 0.74941700 0.88012800 1.0 Co Co11 1 0.25091000 0.25645700 0.24999800 1.0 Co Co12 1 0.00684900 0.49939300 0.48860300 1.0 Co Co13 1 0.49543800 0.49872300 0.49262100 1.0 Co Co14 1 0.49614500 0.25752400 0.37153400 1.0 Co Co15 1 0.00478300 0.24093500 0.36775100 1.0 Co Co16 1 0.74719000 0.24046100 0.25303400 1.0 Co Co17 1 0.99438700 0.75269400 0.37295300 1.0 Co Co18 1 0.26464800 0.74949800 0.74494400 1.0 Co Co19 1 0.50385600 0.75026400 0.37539100 1.0 Co Co20 1 0.99580700 0.24671600 0.87325700 1.0 Co Co21 1 0.00653100 0.00598900 0.00232200 1.0 Co Co22 1 0.74624700 0.49887000 0.13203900 1.0 Co Co23 1 0.50706000 0.50460400 0.00385000 1.0 Co Co24 1 0.75302400 0.00151400 0.13191300 1.0 Co Co25 1 0.23820000 0.50349200 0.62144800 1.0 Co Co26 1 0.50298700 0.00186700 0.49420600 1.0 Co Co27 1 0.74690000 0.25195700 0.74678000 1.0 Co Co28 1 0.25059800 0.50581500 0.13034500 1.0 Co Co29 1 0.24941200 0.74618800 0.25796300 1.0 Co Co30 1 0.74948000 0.74948500 0.25049900 1.0 Co Co31 1 0.24107200 0.00169900 0.13544800 1.0 O O32 1 0.00418800 0.50142100 0.39283000 1.0 O O33 1 0.49566200 0.24612300 0.27328100 1.0 O O34 1 0.75760900 0.24983700 0.85653000 1.0 O O35 1 0.74268600 0.00555600 0.51375000 1.0 O O36 1 0.00328400 0.00453100 0.11481700 1.0 O O37 1 0.49476400 0.25992500 0.47465900 1.0 O O38 1 0.75236800 0.00104700 0.23446400 1.0 O O39 1 0.25216800 0.25063400 0.64599100 1.0 O O40 1 0.74646800 0.74718100 0.84756700 1.0 O O41 1 0.24627800 0.74598400 0.15336600 1.0 O O42 1 0.49385300 0.99194600 0.11484600 1.0 O O43 1 0.00407000 0.49665900 0.89688100 1.0 O O44 1 0.75027300 0.75374600 0.63656200 1.0 O O45 1 0.50464800 0.25529300 0.77602700 1.0 O O46 1 0.50555100 0.50619600 0.11193200 1.0 O O47 1 0.49016800 0.74819200 0.98506100 1.0 O O48 1 0.25470600 0.25587800 0.15065200 1.0 O O49 1 0.00326800 0.74876300 0.27256100 1.0 O O50 1 0.00224800 0.24401600 0.77683900 1.0 O O51 1 0.99359600 0.99682100 0.39031300 1.0 O O52 1 0.25759200 0.75577200 0.64801200 1.0 O O53 1 0.00397900 0.24496900 0.47118600 1.0 O O54 1 0.24389400 0.00516000 0.23109800 1.0 O O55 1 0.75249300 0.99849800 0.71932400 1.0 O O56 1 0.75277400 0.25014100 0.35045300 1.0 O O57 1 0.00281400 0.24954600 0.27113600 1.0 O O58 1 0.24326200 0.00178300 0.03190800 1.0 O O59 1 0.00152300 0.00372400 0.90055600 1.0 O O60 1 0.25213800 0.99999200 0.72826100 1.0 O O61 1 0.50214900 0.00321200 0.59674900 1.0 O O62 1 0.48959700 0.74656200 0.76329300 1.0 O O63 1 0.24752900 0.75150600 0.35465900 1.0 O O64 1 0.25279600 0.74738900 0.85023800 1.0 O O65 1 0.49549900 0.75696500 0.27406900 1.0 O O66 1 0.50494800 0.74014600 0.47375600 1.0 O O67 1 0.24418400 0.50397300 0.72564500 1.0 O O68 1 0.75260300 0.99851700 0.03560400 1.0 O O69 1 0.75893600 0.50127500 0.72025300 1.0 O O70 1 0.75253600 0.74128600 0.35302400 1.0 O O71 1 0.74618400 0.50479200 0.02958700 1.0 O O72 1 0.74518300 0.24165500 0.15077000 1.0 O O73 1 0.49697500 0.49950000 0.39041900 1.0 O O74 1 0.49595600 0.25312000 0.98898600 1.0 O O75 1 0.49475500 0.50149800 0.58951900 1.0 O O76 1 0.75551700 0.49477500 0.50998100 1.0 O O77 1 0.99350300 0.75604500 0.47304400 1.0 O O78 1 0.01087500 0.75599600 0.76571900 1.0 O O79 1 0.25032900 0.50377100 0.03315800 1.0 O O80 1 0.99371700 0.75091400 0.97839500 1.0 O O81 1 0.24960000 0.24999700 0.85907200 1.0 O O82 1 0.25346500 0.49461700 0.23355100 1.0 O O83 1 0.51140400 0.00052700 0.90488800 1.0 O O84 1 0.99956100 0.00205000 0.59167100 1.0 O O85 1 0.24533300 0.25001700 0.35113700 1.0 O O86 1 0.98958200 0.25407700 0.97881500 1.0 O O87 1 0.24394800 0.50627500 0.50833700 1.0 O O88 1 0.50454700 0.00153500 0.39590700 1.0 O O89 1 0.75346100 0.75792300 0.15258900 1.0 O O90 1 0.25791800 0.99491700 0.51379900 1.0 O O91 1 0.74504100 0.49587800 0.22980700 1.0 O O92 1 0.75268300 0.24834400 0.64052100 1.0 O O93 1 0.51049000 0.49770600 0.90687600 1.0 O O94 1 0.00379600 0.50288900 0.59190800 1.0 O O95 1 0.99211200 0.49562200 0.11063000 1.0