# generated using pymatgen data_Ca11YAl15Cr4SiO48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53558286 _cell_length_b 10.53558286 _cell_length_c 12.17602369 _cell_angle_alpha 54.82475532 _cell_angle_beta 54.82475532 _cell_angle_gamma 70.53660435 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca11YAl15Cr4SiO48 _chemical_formula_sum 'Ca11 Y1 Al15 Cr4 Si1 O48' _cell_volume 902.99325917 _cell_formula_units_Z 1 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 Ca Ca0 1 0.74790000 0.74877900 0.37839500 1.0 Ca Ca1 1 0.87310800 0.37245600 0.12641800 1.0 Ca Ca2 1 0.62754400 0.12689200 0.87358200 1.0 Ca Ca3 1 0.74967800 0.74789000 0.87785100 1.0 Ca Ca4 1 0.37720500 0.62279500 0.50000000 1.0 Ca Ca5 1 0.62475800 0.37524200 0.00000000 1.0 Ca Ca6 1 0.37272500 0.87308100 0.62798100 1.0 Ca Ca7 1 0.25122100 0.25210000 0.62160500 1.0 Ca Ca8 1 0.12691900 0.62727500 0.37201900 1.0 Ca Ca9 1 0.25211000 0.25032200 0.12214900 1.0 Ca Ca10 1 0.12259000 0.87741000 0.00000000 1.0 Y Y11 1 0.87749900 0.12250100 0.50000000 1.0 Al Al12 1 0.00127200 0.00203100 0.24943200 1.0 Al Al13 1 0.87245400 0.37211800 0.62682200 1.0 Al Al14 1 0.75055300 0.75124600 0.12126900 1.0 Al Al15 1 0.62239600 0.37760400 0.50000000 1.0 Al Al16 1 0.75201200 0.75112200 0.62057400 1.0 Al Al17 1 0.62788200 0.12754600 0.37317800 1.0 Al Al18 1 0.49987700 0.49987200 0.25012400 1.0 Al Al19 1 0.37174500 0.87364700 0.12731100 1.0 Al Al20 1 0.37794000 0.62206000 0.00000000 1.0 Al Al21 1 0.24875400 0.24944700 0.87873100 1.0 Al Al22 1 0.24887800 0.24798800 0.37942600 1.0 Al Al23 1 0.50012800 0.50012300 0.74987600 1.0 Al Al24 1 0.12310300 0.87689700 0.50000000 1.0 Al Al25 1 0.12635300 0.62825500 0.87268900 1.0 Al Al26 1 0.99796900 0.99872800 0.75056800 1.0 Cr Cr27 1 0.49789700 0.99696300 0.25456900 1.0 Cr Cr28 1 0.00303700 0.50210300 0.74543100 1.0 Cr Cr29 1 0.49811200 0.99875200 0.75178700 1.0 Cr Cr30 1 0.00124800 0.50188800 0.24821300 1.0 Si Si31 1 0.87616500 0.12383500 0.00000000 1.0 O O32 1 0.90185900 0.80543200 0.42771000 1.0 O O33 1 0.98292400 0.92066600 0.64866300 1.0 O O34 1 0.88626800 0.18172400 0.66171400 1.0 O O35 1 0.92420500 0.51117600 0.42713800 1.0 O O36 1 0.91152900 0.99715700 0.14341500 1.0 O O37 1 0.89803400 0.69101200 0.17409500 1.0 O O38 1 0.82210500 0.38080700 0.35478900 1.0 O O39 1 0.58435400 0.51602300 0.55284700 1.0 O O40 1 0.61919300 0.17789500 0.64521100 1.0 O O41 1 0.69690800 0.90120900 0.66948900 1.0 O O42 1 0.69151400 0.11387000 0.05386100 1.0 O O43 1 0.98794800 0.57355000 0.86427900 1.0 O O44 1 0.81827600 0.11373200 0.33828600 1.0 O O45 1 0.80291500 0.90197000 0.93018700 1.0 O O46 1 0.60125900 0.81030500 0.26189900 1.0 O O47 1 0.68149200 0.38772100 0.76452300 1.0 O O48 1 0.69605600 0.59678600 0.13858200 1.0 O O49 1 0.88613000 0.30848600 0.94613900 1.0 O O50 1 0.48397700 0.41564600 0.44715300 1.0 O O51 1 0.59723300 0.69659600 0.63824000 1.0 O O52 1 0.48882400 0.07579500 0.57286200 1.0 O O53 1 0.61227900 0.31850800 0.23547700 1.0 O O54 1 0.42645000 0.01205200 0.13572100 1.0 O O55 1 0.81130100 0.59940000 0.76138100 1.0 O O56 1 0.18969500 0.39874100 0.73810100 1.0 O O57 1 0.57681100 0.98792000 0.36402300 1.0 O O58 1 0.38777600 0.68213100 0.26444400 1.0 O O59 1 0.51073800 0.92432200 0.92722900 1.0 O O60 1 0.40321400 0.30394400 0.86141800 1.0 O O61 1 0.51602700 0.58393100 0.05323900 1.0 O O62 1 0.11484100 0.67830800 0.55824400 1.0 O O63 1 0.30340400 0.40276700 0.36176000 1.0 O O64 1 0.31786900 0.61222400 0.73555600 1.0 O O65 1 0.40060000 0.18869900 0.23861900 1.0 O O66 1 0.19456800 0.09814100 0.57229000 1.0 O O67 1 0.18036100 0.88924200 0.16492600 1.0 O O68 1 0.01208000 0.42318900 0.63597700 1.0 O O69 1 0.32169200 0.88515900 0.44175600 1.0 O O70 1 0.30898800 0.10196600 0.82590500 1.0 O O71 1 0.38673000 0.82096200 0.85161300 1.0 O O72 1 0.41606900 0.48397300 0.94676100 1.0 O O73 1 0.17903800 0.61327000 0.14838700 1.0 O O74 1 0.09879100 0.30309200 0.33051100 1.0 O O75 1 0.07933400 0.01707600 0.35133700 1.0 O O76 1 0.07567800 0.48926200 0.07277100 1.0 O O77 1 0.11075800 0.81963900 0.83507400 1.0 O O78 1 0.00284300 0.08847100 0.85658500 1.0 O O79 1 0.09803000 0.19708500 0.06981300 1.0