# generated using pymatgen data_Ba10Gd2Y3(Cu3O7)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.73657000 _cell_length_b 5.51555900 _cell_length_c 14.02090527 _cell_angle_alpha 79.64240771 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Gd2Y3(Cu3O7)5 _chemical_formula_sum 'Ba10 Gd2 Y3 Cu15 O35' _cell_volume 892.83576626 _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 Ba Ba0 1 0.18123300 0.19998500 0.10001700 1.0 Ba Ba1 1 0.18155300 0.00000000 0.50000000 1.0 Ba Ba2 1 0.18146800 0.59996900 0.30011300 1.0 Ba Ba3 1 0.18123300 0.80001500 0.89998300 1.0 Ba Ba4 1 0.18146800 0.40003100 0.69988700 1.0 Ba Ba5 1 0.81876700 0.19998500 0.10001700 1.0 Ba Ba6 1 0.81844700 0.00000000 0.50000000 1.0 Ba Ba7 1 0.81853200 0.59996900 0.30011300 1.0 Ba Ba8 1 0.81876700 0.80001500 0.89998300 1.0 Ba Ba9 1 0.81853200 0.40003100 0.69988700 1.0 Gd Gd10 1 0.50000000 0.80008100 0.89969300 1.0 Gd Gd11 1 0.50000000 0.19991900 0.10030700 1.0 Y Y12 1 0.50000000 0.40019400 0.69961400 1.0 Y Y13 1 0.50000000 0.00000000 0.50000000 1.0 Y Y14 1 0.50000000 0.59980600 0.30038600 1.0 Cu Cu15 1 0.35281300 0.69994600 0.10005200 1.0 Cu Cu16 1 0.35296300 0.50000000 0.50000000 1.0 Cu Cu17 1 0.35290800 0.09991300 0.30005900 1.0 Cu Cu18 1 0.35281300 0.30005400 0.89994800 1.0 Cu Cu19 1 0.35290800 0.90008700 0.69994100 1.0 Cu Cu20 1 0.64718700 0.69994600 0.10005200 1.0 Cu Cu21 1 0.64703700 0.50000000 0.50000000 1.0 Cu Cu22 1 0.64709200 0.09991300 0.30005900 1.0 Cu Cu23 1 0.64718700 0.30005400 0.89994800 1.0 Cu Cu24 1 0.64709200 0.90008700 0.69994100 1.0 Cu Cu25 1 0.00000000 0.69990800 0.10000500 1.0 Cu Cu26 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu27 1 0.00000000 0.09997000 0.29997500 1.0 Cu Cu28 1 0.00000000 0.30009200 0.89999500 1.0 Cu Cu29 1 0.00000000 0.90003000 0.70002500 1.0 O O30 1 0.16094900 0.69995800 0.09996800 1.0 O O31 1 0.16094800 0.50000000 0.50000000 1.0 O O32 1 0.16093300 0.09993400 0.29996200 1.0 O O33 1 0.16094900 0.30004200 0.90003200 1.0 O O34 1 0.16093300 0.90006600 0.70003800 1.0 O O35 1 0.83905100 0.69995800 0.09996800 1.0 O O36 1 0.83905200 0.50000000 0.50000000 1.0 O O37 1 0.83906700 0.09993400 0.29996200 1.0 O O38 1 0.83905100 0.30004200 0.90003200 1.0 O O39 1 0.83906700 0.90006600 0.70003800 1.0 O O40 1 0.37656200 0.00000000 0.00000000 1.0 O O41 1 0.37797200 0.79999600 0.40002900 1.0 O O42 1 0.37724800 0.40106900 0.20062500 1.0 O O43 1 0.37724800 0.59893100 0.79937500 1.0 O O44 1 0.37797200 0.20000400 0.59997100 1.0 O O45 1 0.62343800 0.00000000 0.00000000 1.0 O O46 1 0.62202800 0.79999600 0.40002900 1.0 O O47 1 0.62275200 0.40106900 0.20062500 1.0 O O48 1 0.62275200 0.59893100 0.79937500 1.0 O O49 1 0.62202800 0.20000400 0.59997100 1.0 O O50 1 0.00000000 0.00000000 0.00000000 1.0 O O51 1 0.00000000 0.80009400 0.39993900 1.0 O O52 1 0.00000000 0.39985600 0.19993000 1.0 O O53 1 0.00000000 0.60014400 0.80007000 1.0 O O54 1 0.00000000 0.19990600 0.60006100 1.0 O O55 1 0.37706200 0.50000000 0.00000000 1.0 O O56 1 0.37782400 0.10141900 0.79944800 1.0 O O57 1 0.37856200 0.69997700 0.60001000 1.0 O O58 1 0.37856200 0.30002300 0.39999000 1.0 O O59 1 0.37782400 0.89858100 0.20055200 1.0 O O60 1 0.62293800 0.50000000 0.00000000 1.0 O O61 1 0.62217600 0.10141900 0.79944800 1.0 O O62 1 0.62143800 0.69997700 0.60001000 1.0 O O63 1 0.62143800 0.30002300 0.39999000 1.0 O O64 1 0.62217600 0.89858100 0.20055200 1.0