# generated using pymatgen data_SrCu(C2O5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49038400 _cell_length_b 17.64956100 _cell_length_c 18.65231800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrCu(C2O5)2 _chemical_formula_sum 'Sr8 Cu8 C32 O80' _cell_volume 2465.87354506 _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 Sr Sr0 1 0.79702000 0.94365500 0.04125500 1.0 Sr Sr1 1 0.70298000 0.44365500 0.95874500 1.0 Sr Sr2 1 0.29702000 0.05634500 0.45874500 1.0 Sr Sr3 1 0.20298000 0.55634500 0.54125500 1.0 Sr Sr4 1 0.20298000 0.05634500 0.95874500 1.0 Sr Sr5 1 0.29702000 0.55634500 0.04125500 1.0 Sr Sr6 1 0.70298000 0.94365500 0.54125500 1.0 Sr Sr7 1 0.79702000 0.44365500 0.45874500 1.0 Cu Cu8 1 0.64014400 0.79582400 0.16741700 1.0 Cu Cu9 1 0.85985600 0.29582400 0.83258300 1.0 Cu Cu10 1 0.14014400 0.20417600 0.33258300 1.0 Cu Cu11 1 0.35985600 0.70417600 0.66741700 1.0 Cu Cu12 1 0.35985600 0.20417600 0.83258300 1.0 Cu Cu13 1 0.14014400 0.70417600 0.16741700 1.0 Cu Cu14 1 0.85985600 0.79582400 0.66741700 1.0 Cu Cu15 1 0.64014400 0.29582400 0.33258300 1.0 C C16 1 0.51177300 0.83124200 0.95121100 1.0 C C17 1 0.98822700 0.33124200 0.04878900 1.0 C C18 1 0.01177300 0.16875800 0.54878900 1.0 C C19 1 0.48822700 0.66875800 0.45121100 1.0 C C20 1 0.48822700 0.16875800 0.04878900 1.0 C C21 1 0.01177300 0.66875800 0.95121100 1.0 C C22 1 0.98822700 0.83124200 0.45121100 1.0 C C23 1 0.51177300 0.33124200 0.54878900 1.0 C C24 1 0.27201900 0.91589400 0.10913100 1.0 C C25 1 0.22798100 0.41589400 0.89086900 1.0 C C26 1 0.77201900 0.08410600 0.39086900 1.0 C C27 1 0.72798100 0.58410600 0.60913100 1.0 C C28 1 0.72798100 0.08410600 0.89086900 1.0 C C29 1 0.77201900 0.58410600 0.10913100 1.0 C C30 1 0.22798100 0.91589400 0.60913100 1.0 C C31 1 0.27201900 0.41589400 0.39086900 1.0 C C32 1 0.34416500 0.71533600 0.24058600 1.0 C C33 1 0.15583500 0.21533600 0.75941400 1.0 C C34 1 0.84416500 0.28466400 0.25941400 1.0 C C35 1 0.65583500 0.78466400 0.74058600 1.0 C C36 1 0.65583500 0.28466400 0.75941400 1.0 C C37 1 0.84416500 0.78466400 0.24058600 1.0 C C38 1 0.15583500 0.71533600 0.74058600 1.0 C C39 1 0.34416500 0.21533600 0.25941400 1.0 C C40 1 0.88829700 0.03409900 0.20069500 1.0 C C41 1 0.61170300 0.53409900 0.79930500 1.0 C C42 1 0.38829700 0.96590100 0.29930500 1.0 C C43 1 0.11170300 0.46590100 0.70069500 1.0 C C44 1 0.11170300 0.96590100 0.79930500 1.0 C C45 1 0.38829700 0.46590100 0.20069500 1.0 C C46 1 0.61170300 0.03409900 0.70069500 1.0 C C47 1 0.88829700 0.53409900 0.29930500 1.0 O O48 1 0.50354300 0.89809300 0.95784400 1.0 O O49 1 0.99645700 0.39809300 0.04215600 1.0 O O50 1 0.00354300 0.10190700 0.54215600 1.0 O O51 1 0.49645700 0.60190700 0.45784400 1.0 O O52 1 0.49645700 0.10190700 0.04215600 1.0 O O53 1 0.00354300 0.60190700 0.95784400 1.0 O O54 1 0.99645700 0.89809300 0.45784400 1.0 O O55 1 0.50354300 0.39809300 0.54215600 1.0 O O56 1 0.51911200 0.76579900 0.94459500 1.0 O O57 1 0.98088800 0.26579900 0.05540500 1.0 O O58 1 0.01911200 0.23420100 0.55540500 1.0 O O59 1 0.48088800 0.73420100 0.44459500 1.0 O O60 1 0.48088800 0.23420100 0.05540500 1.0 O O61 1 0.01911200 0.73420100 0.94459500 1.0 O O62 1 0.98088800 0.76579900 0.44459500 1.0 O O63 1 0.51911200 0.26579900 0.55540500 1.0 O O64 1 0.41674500 0.94109500 0.11423400 1.0 O O65 1 0.08325500 0.44109500 0.88576600 1.0 O O66 1 0.91674500 0.05890500 0.38576600 1.0 O O67 1 0.58325500 0.55890500 0.61423400 1.0 O O68 1 0.58325500 0.05890500 0.88576600 1.0 O O69 1 0.91674500 0.55890500 0.11423400 1.0 O O70 1 0.08325500 0.94109500 0.61423400 1.0 O O71 1 0.41674500 0.44109500 0.38576600 1.0 O O72 1 0.12829100 0.88972600 0.10430100 1.0 O O73 1 0.37170900 0.38972600 0.89569900 1.0 O O74 1 0.62829100 0.11027400 0.39569900 1.0 O O75 1 0.87170900 0.61027400 0.60430100 1.0 O O76 1 0.87170900 0.11027400 0.89569900 1.0 O O77 1 0.62829100 0.61027400 0.10430100 1.0 O O78 1 0.37170900 0.88972600 0.60430100 1.0 O O79 1 0.12829100 0.38972600 0.39569900 1.0 O O80 1 0.43605300 0.77029100 0.22084900 1.0 O O81 1 0.06394700 0.27029100 0.77915100 1.0 O O82 1 0.93605300 0.22970900 0.27915100 1.0 O O83 1 0.56394700 0.72970900 0.72084900 1.0 O O84 1 0.56394700 0.22970900 0.77915100 1.0 O O85 1 0.93605300 0.72970900 0.22084900 1.0 O O86 1 0.06394700 0.77029100 0.72084900 1.0 O O87 1 0.43605300 0.27029100 0.27915100 1.0 O O88 1 0.32958100 0.67287000 0.29087900 1.0 O O89 1 0.17041900 0.17287000 0.70912100 1.0 O O90 1 0.82958100 0.32713000 0.20912100 1.0 O O91 1 0.67041900 0.82713000 0.79087900 1.0 O O92 1 0.67041900 0.32713000 0.70912100 1.0 O O93 1 0.82958100 0.82713000 0.29087900 1.0 O O94 1 0.17041900 0.67287000 0.79087900 1.0 O O95 1 0.32958100 0.17287000 0.20912100 1.0 O O96 1 0.78099300 0.98947100 0.18154000 1.0 O O97 1 0.71900700 0.48947100 0.81846000 1.0 O O98 1 0.28099300 0.01052900 0.31846000 1.0 O O99 1 0.21900700 0.51052900 0.68154000 1.0 O O100 1 0.21900700 0.01052900 0.81846000 1.0 O O101 1 0.28099300 0.51052900 0.18154000 1.0 O O102 1 0.71900700 0.98947100 0.68154000 1.0 O O103 1 0.78099300 0.48947100 0.31846000 1.0 O O104 1 0.99094100 0.07762700 0.22374100 1.0 O O105 1 0.50905900 0.57762700 0.77625900 1.0 O O106 1 0.49094100 0.92237300 0.27625900 1.0 O O107 1 0.00905900 0.42237300 0.72374100 1.0 O O108 1 0.00905900 0.92237300 0.77625900 1.0 O O109 1 0.49094100 0.42237300 0.22374100 1.0 O O110 1 0.50905900 0.07762700 0.72374100 1.0 O O111 1 0.99094100 0.57762700 0.27625900 1.0 O O112 1 0.00576600 0.95276900 0.94833800 1.0 O O113 1 0.49423400 0.45276900 0.05166200 1.0 O O114 1 0.50576600 0.04723100 0.55166200 1.0 O O115 1 0.99423400 0.54723100 0.44833800 1.0 O O116 1 0.99423400 0.04723100 0.05166200 1.0 O O117 1 0.50576600 0.54723100 0.94833800 1.0 O O118 1 0.49423400 0.95276900 0.44833800 1.0 O O119 1 0.00576600 0.45276900 0.55166200 1.0 O O120 1 0.76553100 0.82581800 0.09553300 1.0 O O121 1 0.73446900 0.32581800 0.90446700 1.0 O O122 1 0.26553100 0.17418200 0.40446700 1.0 O O123 1 0.23446900 0.67418200 0.59553300 1.0 O O124 1 0.23446900 0.17418200 0.90446700 1.0 O O125 1 0.26553100 0.67418200 0.09553300 1.0 O O126 1 0.73446900 0.82581800 0.59553300 1.0 O O127 1 0.76553100 0.32581800 0.40446700 1.0