# generated using pymatgen data_Sr6YGa3(Cu2O7)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60501943 _cell_length_b 12.60501943 _cell_length_c 15.69705979 _cell_angle_alpha 78.03104564 _cell_angle_beta 78.03104564 _cell_angle_gamma 24.60838197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6YGa3(Cu2O7)3 _chemical_formula_sum 'Sr12 Y2 Ga6 Cu12 O42' _cell_volume 1014.89257437 _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 Sr Sr0 1 0.86201400 0.33892900 0.05295200 1.0 Sr Sr1 1 0.86161000 0.33719700 0.38279800 1.0 Sr Sr2 1 0.85914800 0.33481900 0.71896100 1.0 Sr Sr3 1 0.13883100 0.66059800 0.28202200 1.0 Sr Sr4 1 0.14081300 0.66437100 0.61738400 1.0 Sr Sr5 1 0.13771200 0.66173200 0.95323100 1.0 Sr Sr6 1 0.33481900 0.85914800 0.21896100 1.0 Sr Sr7 1 0.33892900 0.86201400 0.55295200 1.0 Sr Sr8 1 0.33719700 0.86161000 0.88279800 1.0 Sr Sr9 1 0.66437100 0.14081300 0.11738400 1.0 Sr Sr10 1 0.66173200 0.13771200 0.45323100 1.0 Sr Sr11 1 0.66059800 0.13883100 0.78202200 1.0 Y Y12 1 0.49981600 0.99968300 0.16691500 1.0 Y Y13 1 0.99968300 0.49981600 0.66691500 1.0 Ga Ga14 1 0.31758300 0.68254200 0.06875500 1.0 Ga Ga15 1 0.31834800 0.68042400 0.40332600 1.0 Ga Ga16 1 0.31894100 0.68143200 0.73662200 1.0 Ga Ga17 1 0.68143200 0.31894100 0.23662200 1.0 Ga Ga18 1 0.68254200 0.31758300 0.56875500 1.0 Ga Ga19 1 0.68042400 0.31834800 0.90332600 1.0 Cu Cu20 1 0.06564100 0.56040600 0.14630900 1.0 Cu Cu21 1 0.06466500 0.55861300 0.47342600 1.0 Cu Cu22 1 0.06417400 0.55902000 0.81983800 1.0 Cu Cu23 1 0.44101700 0.93524100 0.01437400 1.0 Cu Cu24 1 0.44071300 0.93518100 0.36117500 1.0 Cu Cu25 1 0.43909700 0.93397100 0.68867000 1.0 Cu Cu26 1 0.55902000 0.06417400 0.31983800 1.0 Cu Cu27 1 0.56040600 0.06564100 0.64630900 1.0 Cu Cu28 1 0.55861300 0.06466500 0.97342600 1.0 Cu Cu29 1 0.93397100 0.43909700 0.18867000 1.0 Cu Cu30 1 0.93524100 0.44101700 0.51437400 1.0 Cu Cu31 1 0.93518100 0.44071300 0.86117500 1.0 O O32 1 0.20425100 0.16568500 0.26795600 1.0 O O33 1 0.16899400 0.20150800 0.60921100 1.0 O O34 1 0.17548000 0.17258500 0.94198600 1.0 O O35 1 0.35114400 0.64560600 0.28154000 1.0 O O36 1 0.35568300 0.64672800 0.61399600 1.0 O O37 1 0.35082500 0.64905500 0.94675600 1.0 O O38 1 0.20150800 0.16899400 0.10921100 1.0 O O39 1 0.17258500 0.17548000 0.44198600 1.0 O O40 1 0.16568500 0.20425100 0.76795600 1.0 O O41 1 0.71796800 0.13953400 0.27951100 1.0 O O42 1 0.70710200 0.14706200 0.61394300 1.0 O O43 1 0.71501700 0.14097300 0.95076400 1.0 O O44 1 0.33949500 0.29601000 0.22309700 1.0 O O45 1 0.29673100 0.33900000 0.56608600 1.0 O O46 1 0.33079500 0.33058800 0.89057500 1.0 O O47 1 0.33900000 0.29673100 0.06608600 1.0 O O48 1 0.33058800 0.33079500 0.39057500 1.0 O O49 1 0.29601000 0.33949500 0.72309700 1.0 O O50 1 0.64672800 0.35568300 0.11399600 1.0 O O51 1 0.64905500 0.35082500 0.44675600 1.0 O O52 1 0.64560600 0.35114400 0.78154000 1.0 O O53 1 0.79787400 0.83112200 0.06611300 1.0 O O54 1 0.82666300 0.82464500 0.39153400 1.0 O O55 1 0.83341400 0.79594700 0.72469800 1.0 O O56 1 0.79594700 0.83341400 0.22469800 1.0 O O57 1 0.83112200 0.79787400 0.56611300 1.0 O O58 1 0.82464500 0.82666300 0.89153400 1.0 O O59 1 0.14706200 0.70710200 0.11394300 1.0 O O60 1 0.14097300 0.71501700 0.45076400 1.0 O O61 1 0.13953400 0.71796800 0.77951100 1.0 O O62 1 0.28184400 0.86024400 0.06825200 1.0 O O63 1 0.28502800 0.85733600 0.39899100 1.0 O O64 1 0.29294200 0.85287300 0.73312300 1.0 O O65 1 0.85287300 0.29294200 0.23312300 1.0 O O66 1 0.86024400 0.28184400 0.56825200 1.0 O O67 1 0.85733600 0.28502800 0.89899100 1.0 O O68 1 0.66031300 0.70348800 0.26838700 1.0 O O69 1 0.70323900 0.66039800 0.61148200 1.0 O O70 1 0.66919400 0.66884100 0.94408500 1.0 O O71 1 0.66039800 0.70323900 0.11148200 1.0 O O72 1 0.66884100 0.66919400 0.44408500 1.0 O O73 1 0.70348800 0.66031300 0.76838700 1.0