# generated using pymatgen data_Ba8Y4(Cu4O9)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66717793 _cell_length_b 8.66717793 _cell_length_c 12.53176136 _cell_angle_alpha 74.09553056 _cell_angle_beta 74.09553056 _cell_angle_gamma 54.17650905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba8Y4(Cu4O9)3 _chemical_formula_sum 'Ba8 Y4 Cu12 O27' _cell_volume 726.24121089 _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 0.91812000 0.91812000 0.81112300 1.0 Ba Ba1 1 0.17634600 0.17634600 0.81103000 1.0 Ba Ba2 1 0.42038800 0.42038800 0.81708700 1.0 Ba Ba3 1 0.67104300 0.67104300 0.81717500 1.0 Ba Ba4 1 0.08188000 0.08188000 0.18887700 1.0 Ba Ba5 1 0.32895700 0.32895700 0.18282500 1.0 Ba Ba6 1 0.57961200 0.57961200 0.18291300 1.0 Ba Ba7 1 0.82365400 0.82365400 0.18897000 1.0 Y Y8 1 0.25006200 0.25006200 0.49920400 1.0 Y Y9 1 0.74993800 0.74993800 0.50079600 1.0 Y Y10 1 0.50000000 0.50000000 0.50000000 1.0 Y Y11 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu12 1 0.08939000 0.58920400 0.64290600 1.0 Cu Cu13 1 0.58920400 0.08939000 0.64290600 1.0 Cu Cu14 1 0.33900200 0.83987000 0.64227500 1.0 Cu Cu15 1 0.83987000 0.33900200 0.64227500 1.0 Cu Cu16 1 0.16013000 0.66099800 0.35772500 1.0 Cu Cu17 1 0.66099800 0.16013000 0.35772500 1.0 Cu Cu18 1 0.41079600 0.91061000 0.35709400 1.0 Cu Cu19 1 0.91061000 0.41079600 0.35709400 1.0 Cu Cu20 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu21 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu22 1 0.25997400 0.74002600 0.00000000 1.0 Cu Cu23 1 0.74002600 0.25997400 0.00000000 1.0 O O24 1 0.34456600 0.34456600 0.62127300 1.0 O O25 1 0.84474800 0.84474800 0.62157000 1.0 O O26 1 0.59458000 0.59458000 0.62166100 1.0 O O27 1 0.09499000 0.09499000 0.62017100 1.0 O O28 1 0.40542000 0.40542000 0.37833900 1.0 O O29 1 0.90501000 0.90501000 0.37982900 1.0 O O30 1 0.65543400 0.65543400 0.37872700 1.0 O O31 1 0.15525200 0.15525200 0.37843000 1.0 O O32 1 0.96987600 0.47001800 0.62029400 1.0 O O33 1 0.47001800 0.96987600 0.62029400 1.0 O O34 1 0.22008400 0.71979000 0.62029900 1.0 O O35 1 0.71979000 0.22008400 0.62029900 1.0 O O36 1 0.03012400 0.52998200 0.37970600 1.0 O O37 1 0.52998200 0.03012400 0.37970600 1.0 O O38 1 0.28021000 0.77991600 0.37970100 1.0 O O39 1 0.77991600 0.28021000 0.37970100 1.0 O O40 1 0.03965400 0.53965500 0.84140600 1.0 O O41 1 0.53965500 0.03965400 0.84140600 1.0 O O42 1 0.27119500 0.80493800 0.84767700 1.0 O O43 1 0.80493800 0.27119500 0.84767700 1.0 O O44 1 0.19506200 0.72880500 0.15232300 1.0 O O45 1 0.72880500 0.19506200 0.15232300 1.0 O O46 1 0.46034500 0.96034600 0.15859400 1.0 O O47 1 0.96034600 0.46034500 0.15859400 1.0 O O48 1 0.24853500 0.24853500 0.00001600 1.0 O O49 1 0.50000000 0.50000000 0.00000000 1.0 O O50 1 0.75146500 0.75146500 0.99998400 1.0