# generated using pymatgen data_Sr10Ca4Cu10Bi11O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.38932247 _cell_length_b 16.94271514 _cell_length_c 8.38868211 _cell_angle_alpha 75.66853307 _cell_angle_beta 89.99329384 _cell_angle_gamma 104.33258350 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr10Ca4Cu10Bi11O40 _chemical_formula_sum 'Sr10 Ca4 Cu10 Bi11 O40' _cell_volume 1116.89051486 _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 Sr Sr0 1 0.40938900 0.21877900 0.79061100 1.0 Sr Sr1 1 0.60902800 0.21645400 0.39104200 1.0 Sr Sr2 1 0.80896800 0.21644100 0.99252500 1.0 Sr Sr3 1 0.00747300 0.21644100 0.59103500 1.0 Sr Sr4 1 0.20742600 0.21645400 0.19250500 1.0 Sr Sr5 1 0.39257400 0.78354600 0.60749500 1.0 Sr Sr6 1 0.59252700 0.78355900 0.20896500 1.0 Sr Sr7 1 0.79103200 0.78355900 0.80747500 1.0 Sr Sr8 1 0.99097200 0.78354600 0.40895800 1.0 Sr Sr9 1 0.19061100 0.78122100 0.00938900 1.0 Ca Ca10 1 0.50159900 0.00000000 0.49780300 1.0 Ca Ca11 1 0.70221300 0.00000000 0.10151900 1.0 Ca Ca12 1 0.89778700 0.00000000 0.69848100 1.0 Ca Ca13 1 0.09840100 0.00000000 0.30219700 1.0 Cu Cu14 1 0.04931800 0.10229100 0.94966600 1.0 Cu Cu15 1 0.25032800 0.10229300 0.54706700 1.0 Cu Cu16 1 0.45196500 0.10229300 0.15064000 1.0 Cu Cu17 1 0.65297300 0.10229100 0.74804300 1.0 Cu Cu18 1 0.85057700 0.10115400 0.34942300 1.0 Cu Cu19 1 0.74942300 0.89884600 0.45057700 1.0 Cu Cu20 1 0.94702700 0.89770900 0.05195700 1.0 Cu Cu21 1 0.14803500 0.89770700 0.64936000 1.0 Cu Cu22 1 0.34967200 0.89770700 0.25293300 1.0 Cu Cu23 1 0.55068200 0.89770900 0.85033400 1.0 Bi Bi24 1 0.19755400 0.39512400 0.80284800 1.0 Bi Bi25 1 0.39720400 0.39512700 0.40245800 1.0 Bi Bi26 1 0.59792200 0.39512700 0.00241600 1.0 Bi Bi27 1 0.79757000 0.39512400 0.60202800 1.0 Bi Bi28 1 0.99756100 0.39512200 0.20243900 1.0 Bi Bi29 1 0.60243900 0.60487800 0.59756100 1.0 Bi Bi30 1 0.80243000 0.60487600 0.19797200 1.0 Bi Bi31 1 0.00207800 0.60487300 0.79758400 1.0 Bi Bi32 1 0.20279600 0.60487300 0.39754200 1.0 Bi Bi33 1 0.40244600 0.60487600 0.99715200 1.0 Bi Bi34 1 0.30000000 0.00000000 0.90000000 1.0 O O35 1 0.13270700 0.26429200 0.86769600 1.0 O O36 1 0.33233200 0.26429500 0.46839400 1.0 O O37 1 0.53196300 0.26429500 0.06731100 1.0 O O38 1 0.73158500 0.26429200 0.66801200 1.0 O O39 1 0.93219200 0.26438500 0.26780800 1.0 O O40 1 0.66780800 0.73561500 0.53219200 1.0 O O41 1 0.86841500 0.73570800 0.13198800 1.0 O O42 1 0.06803700 0.73570500 0.73268900 1.0 O O43 1 0.26766800 0.73570500 0.33160600 1.0 O O44 1 0.46729300 0.73570800 0.93230400 1.0 O O45 1 0.49681500 0.39363100 0.70318500 1.0 O O46 1 0.69743200 0.39366600 0.30349100 1.0 O O47 1 0.89653700 0.39368100 0.90383100 1.0 O O48 1 0.09714400 0.39368100 0.50248800 1.0 O O49 1 0.29623500 0.39366600 0.10284300 1.0 O O50 1 0.30376500 0.60633400 0.69715700 1.0 O O51 1 0.50285600 0.60631900 0.29751200 1.0 O O52 1 0.70346200 0.60631900 0.89616900 1.0 O O53 1 0.90256800 0.60633400 0.49650900 1.0 O O54 1 0.10318500 0.60636900 0.09681500 1.0 O O55 1 0.25138900 0.10162600 0.04899300 1.0 O O56 1 0.45023700 0.10162600 0.64938100 1.0 O O57 1 0.65108400 0.10138900 0.24915800 1.0 O O58 1 0.85072100 0.10144200 0.84927900 1.0 O O59 1 0.05030500 0.10138900 0.44945300 1.0 O O60 1 0.64924500 0.89858400 0.65017800 1.0 O O61 1 0.84934000 0.89858400 0.25123800 1.0 O O62 1 0.04946800 0.89836200 0.85120700 1.0 O O63 1 0.24926700 0.89853400 0.45073300 1.0 O O64 1 0.44889400 0.89836200 0.05043100 1.0 O O65 1 0.54969500 0.89861100 0.35054700 1.0 O O66 1 0.74927900 0.89855800 0.95072100 1.0 O O67 1 0.94891600 0.89861100 0.55084200 1.0 O O68 1 0.14976300 0.89837400 0.15061900 1.0 O O69 1 0.34861200 0.89837400 0.75100700 1.0 O O70 1 0.15110600 0.10163800 0.74956900 1.0 O O71 1 0.35073300 0.10146600 0.34926700 1.0 O O72 1 0.55053200 0.10163800 0.94879300 1.0 O O73 1 0.75066000 0.10141600 0.54876200 1.0 O O74 1 0.95075500 0.10141600 0.14982200 1.0