# generated using pymatgen data_BaTi10O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49310100 _cell_length_b 10.38261376 _cell_length_c 10.38388458 _cell_angle_alpha 88.35210532 _cell_angle_beta 112.07436280 _cell_angle_gamma 112.21903270 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTi10O20 _chemical_formula_sum 'Ba2 Ti20 O40' _cell_volume 778.64098971 _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 0.99891000 0.29707700 0.29738800 1.0 Ba Ba1 1 0.00109000 0.70292300 0.70261200 1.0 Ti Ti2 1 0.81416000 0.39754900 0.89123400 1.0 Ti Ti3 1 0.82273300 0.20853100 0.68502700 1.0 Ti Ti4 1 0.81046500 0.99829200 0.48754000 1.0 Ti Ti5 1 0.82151800 0.80862800 0.28641600 1.0 Ti Ti6 1 0.81982100 0.60589200 0.08525400 1.0 Ti Ti7 1 0.18017900 0.39410800 0.91474600 1.0 Ti Ti8 1 0.17848200 0.19137200 0.71358400 1.0 Ti Ti9 1 0.18953500 0.00170800 0.51246000 1.0 Ti Ti10 1 0.17726700 0.79146900 0.31497300 1.0 Ti Ti11 1 0.18584000 0.60245100 0.10876600 1.0 Ti Ti12 1 0.47236400 0.55129900 0.73220000 1.0 Ti Ti13 1 0.49528800 0.35710900 0.54191700 1.0 Ti Ti14 1 0.47791500 0.15447300 0.33348900 1.0 Ti Ti15 1 0.47815400 0.95392900 0.13275400 1.0 Ti Ti16 1 0.49578500 0.75532500 0.94006300 1.0 Ti Ti17 1 0.50421500 0.24467500 0.05993700 1.0 Ti Ti18 1 0.52184600 0.04607100 0.86724600 1.0 Ti Ti19 1 0.52208500 0.84552700 0.66651100 1.0 Ti Ti20 1 0.50471200 0.64289100 0.45808300 1.0 Ti Ti21 1 0.52763600 0.44870100 0.26780000 1.0 O O22 1 0.04773700 0.19664000 0.83183300 1.0 O O23 1 0.04655300 0.99016200 0.63446000 1.0 O O24 1 0.04795100 0.79506600 0.43915100 1.0 O O25 1 0.04749300 0.58978000 0.23367200 1.0 O O26 1 0.04585200 0.39285400 0.03748000 1.0 O O27 1 0.95414800 0.60714600 0.96252000 1.0 O O28 1 0.95250700 0.41022000 0.76632800 1.0 O O29 1 0.95204900 0.20493400 0.56084900 1.0 O O30 1 0.95344700 0.00983800 0.36554000 1.0 O O31 1 0.95226300 0.80336000 0.16816700 1.0 O O32 1 0.64518700 0.31572700 0.26886300 1.0 O O33 1 0.64262000 0.11785600 0.06943400 1.0 O O34 1 0.63938000 0.91467600 0.86767100 1.0 O O35 1 0.63984000 0.71441800 0.66671200 1.0 O O36 1 0.64751700 0.51943700 0.47395600 1.0 O O37 1 0.35248300 0.48056300 0.52604400 1.0 O O38 1 0.36016000 0.28558200 0.33328800 1.0 O O39 1 0.36062000 0.08532400 0.13232900 1.0 O O40 1 0.35738000 0.88214400 0.93056600 1.0 O O41 1 0.35481300 0.68427300 0.73113700 1.0 O O42 1 0.62489100 0.63706600 0.93302400 1.0 O O43 1 0.62503000 0.84137400 0.13712500 1.0 O O44 1 0.62688200 0.04093200 0.33423900 1.0 O O45 1 0.62574300 0.23913400 0.53374100 1.0 O O46 1 0.62980400 0.44434600 0.73720600 1.0 O O47 1 0.37019600 0.55565400 0.26279400 1.0 O O48 1 0.37425700 0.76086600 0.46625900 1.0 O O49 1 0.37311800 0.95906800 0.66576100 1.0 O O50 1 0.37497000 0.15862600 0.86287500 1.0 O O51 1 0.37510900 0.36293400 0.06697600 1.0 O O52 1 0.29159700 0.60236800 0.97052700 1.0 O O53 1 0.29606800 0.80273800 0.17912600 1.0 O O54 1 0.29567900 0.99862500 0.37491500 1.0 O O55 1 0.29250200 0.20442600 0.57368000 1.0 O O56 1 0.29625800 0.39884200 0.77786600 1.0 O O57 1 0.70374200 0.60115800 0.22213400 1.0 O O58 1 0.70749800 0.79557400 0.42632000 1.0 O O59 1 0.70432100 0.00137500 0.62508500 1.0 O O60 1 0.70393200 0.19726200 0.82087400 1.0 O O61 1 0.70840300 0.39763200 0.02947300 1.0