# generated using pymatgen data_Sr2Ca6TiMn7O20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.94783871 _cell_length_b 11.18284986 _cell_length_c 17.30870167 _cell_angle_alpha 108.76857573 _cell_angle_beta 108.33810850 _cell_angle_gamma 89.99692177 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2Ca6TiMn7O20 _chemical_formula_sum 'Sr8 Ca24 Ti4 Mn28 O80' _cell_volume 1892.39261826 _cell_formula_units_Z 4 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 Sr Sr0 1 0.31057300 0.56140200 0.61011200 1.0 Sr Sr1 1 0.80724600 0.06045600 0.60841200 1.0 Sr Sr2 1 0.20112600 0.44042400 0.89050500 1.0 Sr Sr3 1 0.05744700 0.29734100 0.60792000 1.0 Sr Sr4 1 0.06000500 0.80055200 0.60952600 1.0 Sr Sr5 1 0.56068600 0.30128000 0.61071100 1.0 Sr Sr6 1 0.44717400 0.20283200 0.88910700 1.0 Sr Sr7 1 0.94638800 0.19837800 0.38567500 1.0 Ca Ca8 1 0.30539000 0.06822200 0.11303200 1.0 Ca Ca9 1 0.30669800 0.06141400 0.60230700 1.0 Ca Ca10 1 0.31033100 0.56650700 0.11182000 1.0 Ca Ca11 1 0.80459600 0.06744100 0.10992000 1.0 Ca Ca12 1 0.80291600 0.56254300 0.11088900 1.0 Ca Ca13 1 0.80405100 0.56428600 0.60508900 1.0 Ca Ca14 1 0.20124800 0.43485500 0.39308100 1.0 Ca Ca15 1 0.19842300 0.93341100 0.39206200 1.0 Ca Ca16 1 0.19481500 0.93657100 0.89236500 1.0 Ca Ca17 1 0.69847300 0.43480500 0.39274800 1.0 Ca Ca18 1 0.69540700 0.43043000 0.89194700 1.0 Ca Ca19 1 0.69959800 0.93331800 0.39148000 1.0 Ca Ca20 1 0.69567500 0.94147500 0.88938500 1.0 Ca Ca21 1 0.05732800 0.29576900 0.11269600 1.0 Ca Ca22 1 0.05800300 0.79243500 0.11103400 1.0 Ca Ca23 1 0.55539200 0.29629000 0.11152900 1.0 Ca Ca24 1 0.55163000 0.79086400 0.11121300 1.0 Ca Ca25 1 0.55809400 0.79277100 0.60543800 1.0 Ca Ca26 1 0.44988700 0.20691500 0.39219600 1.0 Ca Ca27 1 0.44868000 0.70517200 0.39178700 1.0 Ca Ca28 1 0.43851700 0.70401700 0.89097900 1.0 Ca Ca29 1 0.94974100 0.20701600 0.89225000 1.0 Ca Ca30 1 0.94872400 0.70572100 0.39161400 1.0 Ca Ca31 1 0.95061200 0.70744800 0.89120500 1.0 Ti Ti32 1 0.00735500 0.00172500 0.00226000 1.0 Ti Ti33 1 0.00608000 0.50083000 0.00200500 1.0 Ti Ti34 1 0.50595800 0.00138400 0.00296100 1.0 Ti Ti35 1 0.75235200 0.74982800 0.99750100 1.0 Mn Mn36 1 0.00450600 0.99778000 0.49714600 1.0 Mn Mn37 1 0.00302000 0.50009300 0.49660300 1.0 Mn Mn38 1 0.50350600 0.99772300 0.49695600 1.0 Mn Mn39 1 0.50799800 0.50144000 0.00214400 1.0 Mn Mn40 1 0.50538500 0.50132700 0.49796800 1.0 Mn Mn41 1 0.25595400 0.25144800 0.00316300 1.0 Mn Mn42 1 0.25535900 0.24823900 0.49651400 1.0 Mn Mn43 1 0.25636000 0.75347600 0.00329900 1.0 Mn Mn44 1 0.25661000 0.74936100 0.49744600 1.0 Mn Mn45 1 0.75696400 0.24996800 0.00198300 1.0 Mn Mn46 1 0.75368600 0.24968900 0.49742600 1.0 Mn Mn47 1 0.75419000 0.74745500 0.49627000 1.0 Mn Mn48 1 0.11384100 0.08931600 0.24805400 1.0 Mn Mn49 1 0.10760500 0.09327400 0.75179800 1.0 Mn Mn50 1 0.11102600 0.59373700 0.25092300 1.0 Mn Mn51 1 0.10380000 0.59881600 0.74750900 1.0 Mn Mn52 1 0.60756000 0.09037100 0.24977700 1.0 Mn Mn53 1 0.60538000 0.09289200 0.74510600 1.0 Mn Mn54 1 0.61038900 0.59182300 0.25031700 1.0 Mn Mn55 1 0.61637400 0.60329200 0.75400200 1.0 Mn Mn56 1 0.35702500 0.40414600 0.25225800 1.0 Mn Mn57 1 0.36822900 0.40677300 0.75108200 1.0 Mn Mn58 1 0.35679900 0.90404500 0.25326000 1.0 Mn Mn59 1 0.36800500 0.90612600 0.75008400 1.0 Mn Mn60 1 0.85699700 0.40750500 0.25197700 1.0 Mn Mn61 1 0.85947600 0.40988600 0.75218800 1.0 Mn Mn62 1 0.85618900 0.89566900 0.24558900 1.0 Mn Mn63 1 0.85900100 0.90169100 0.75087300 1.0 O O64 1 0.12791400 0.11855800 0.48999700 1.0 O O65 1 0.12336500 0.12081900 0.98614700 1.0 O O66 1 0.12202400 0.62077000 0.48475600 1.0 O O67 1 0.12169700 0.62602200 0.99035400 1.0 O O68 1 0.61978500 0.11738900 0.48363500 1.0 O O69 1 0.62968900 0.11737400 0.99080300 1.0 O O70 1 0.62177900 0.61752400 0.48398000 1.0 O O71 1 0.62676200 0.62330100 0.98565300 1.0 O O72 1 0.13924600 0.38195800 0.01873600 1.0 O O73 1 0.13186700 0.37838800 0.50414200 1.0 O O74 1 0.13968300 0.88432000 0.01585900 1.0 O O75 1 0.13608600 0.87928800 0.50547900 1.0 O O76 1 0.64179800 0.37586300 0.01437900 1.0 O O77 1 0.63404600 0.38182000 0.50665100 1.0 O O78 1 0.64089700 0.88090500 0.01873300 1.0 O O79 1 0.63033400 0.87372900 0.50616900 1.0 O O80 1 0.37203800 0.11358500 0.48510300 1.0 O O81 1 0.37357900 0.11677800 0.99185900 1.0 O O82 1 0.37463300 0.61712300 0.48409500 1.0 O O83 1 0.37482200 0.62955900 0.99443900 1.0 O O84 1 0.87154500 0.11457800 0.48656400 1.0 O O85 1 0.87577800 0.11775100 0.98906700 1.0 O O86 1 0.87112000 0.61582500 0.48389300 1.0 O O87 1 0.87465900 0.61799600 0.98841000 1.0 O O88 1 0.38616600 0.38231100 0.01714800 1.0 O O89 1 0.38454200 0.37948900 0.50533400 1.0 O O90 1 0.38702200 0.88392000 0.01322300 1.0 O O91 1 0.38749900 0.88200400 0.51155000 1.0 O O92 1 0.88616100 0.38272300 0.01252900 1.0 O O93 1 0.88078900 0.38490400 0.50766200 1.0 O O94 1 0.89264000 0.88777600 0.01974800 1.0 O O95 1 0.88348200 0.87703700 0.50339000 1.0 O O96 1 0.08632500 0.09717700 0.12843100 1.0 O O97 1 0.07417300 0.07866200 0.63355500 1.0 O O98 1 0.07739100 0.59299200 0.12842500 1.0 O O99 1 0.06970100 0.58439200 0.62959400 1.0 O O100 1 0.58052400 0.09399200 0.12907200 1.0 O O101 1 0.57430000 0.08338800 0.62863900 1.0 O O102 1 0.58282500 0.59280800 0.12967900 1.0 O O103 1 0.57794600 0.59142000 0.62865700 1.0 O O104 1 0.44378800 0.40880200 0.36660000 1.0 O O105 1 0.44743700 0.41627400 0.87306800 1.0 O O106 1 0.44329400 0.90743000 0.36764900 1.0 O O107 1 0.46002500 0.90881100 0.87475700 1.0 O O108 1 0.94355300 0.41504700 0.36613500 1.0 O O109 1 0.95364600 0.40828400 0.87489500 1.0 O O110 1 0.94526400 0.90865300 0.36222300 1.0 O O111 1 0.95214300 0.90627800 0.87482200 1.0 O O112 1 0.33473100 0.28952200 0.14164100 1.0 O O113 1 0.32456300 0.29232200 0.62826700 1.0 O O114 1 0.33380500 0.79260800 0.14206900 1.0 O O115 1 0.32573300 0.79058400 0.62657000 1.0 O O116 1 0.83903100 0.29169300 0.14172100 1.0 O O117 1 0.82035000 0.29451200 0.62759100 1.0 O O118 1 0.83073600 0.78230400 0.13167300 1.0 O O119 1 0.82128400 0.78753000 0.62611500 1.0 O O120 1 0.19698100 0.21136500 0.36852500 1.0 O O121 1 0.19165400 0.20634300 0.86273500 1.0 O O122 1 0.20249300 0.71499600 0.37042900 1.0 O O123 1 0.19204600 0.71075300 0.86075400 1.0 O O124 1 0.69354800 0.21362000 0.36955800 1.0 O O125 1 0.69084700 0.20322200 0.85930300 1.0 O O126 1 0.69708400 0.71310300 0.36916300 1.0 O O127 1 0.71156900 0.72718900 0.87627500 1.0 O O128 1 0.41883300 0.06836600 0.25041500 1.0 O O129 1 0.42410700 0.07850300 0.74191600 1.0 O O130 1 0.42144800 0.56774400 0.24963300 1.0 O O131 1 0.43449000 0.57999300 0.75845200 1.0 O O132 1 0.92312500 0.05361700 0.23969800 1.0 O O133 1 0.93019700 0.07897000 0.75696300 1.0 O O134 1 0.92023800 0.57075500 0.24939800 1.0 O O135 1 0.92406300 0.58579800 0.75029900 1.0 O O136 1 0.17537900 0.41801400 0.25109700 1.0 O O137 1 0.18271300 0.44314000 0.74947200 1.0 O O138 1 0.17517200 0.91395800 0.25012100 1.0 O O139 1 0.18497900 0.93746400 0.75935000 1.0 O O140 1 0.67507600 0.41687400 0.25010900 1.0 O O141 1 0.67755200 0.43239200 0.76011900 1.0 O O142 1 0.67490000 0.91569200 0.24924800 1.0 O O143 1 0.66963500 0.92777200 0.74915600 1.0