# generated using pymatgen data_Ba10PrY4(Cu3O7)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85408800 _cell_length_b 11.87431800 _cell_length_c 19.62205800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10PrY4(Cu3O7)5 _chemical_formula_sum 'Ba10 Pr1 Y4 Cu15 O35' _cell_volume 897.99694065 _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 0.50000000 0.18006400 0.70024500 1.0 Ba Ba1 1 0.50000000 0.17879300 0.50000000 1.0 Ba Ba2 1 0.50000000 0.18006400 0.29975500 1.0 Ba Ba3 1 0.50000000 0.18007100 0.10003300 1.0 Ba Ba4 1 0.50000000 0.18007100 0.89996700 1.0 Ba Ba5 1 0.50000000 0.81993600 0.70024500 1.0 Ba Ba6 1 0.50000000 0.82120700 0.50000000 1.0 Ba Ba7 1 0.50000000 0.81993600 0.29975500 1.0 Ba Ba8 1 0.50000000 0.81992900 0.10003300 1.0 Ba Ba9 1 0.50000000 0.81992900 0.89996700 1.0 Pr Pr10 1 0.50000000 0.50000000 0.50000000 1.0 Y Y11 1 0.50000000 0.50000000 0.70085600 1.0 Y Y12 1 0.50000000 0.50000000 0.29914400 1.0 Y Y13 1 0.50000000 0.50000000 0.09992100 1.0 Y Y14 1 0.50000000 0.50000000 0.90007900 1.0 Cu Cu15 1 0.00000000 0.35044300 0.80028700 1.0 Cu Cu16 1 0.00000000 0.34762900 0.60135000 1.0 Cu Cu17 1 0.00000000 0.34762900 0.39865000 1.0 Cu Cu18 1 0.00000000 0.35044300 0.19971300 1.0 Cu Cu19 1 0.00000000 0.35034600 0.00000000 1.0 Cu Cu20 1 0.00000000 0.64955700 0.80028700 1.0 Cu Cu21 1 0.00000000 0.65237100 0.60135000 1.0 Cu Cu22 1 0.00000000 0.65237100 0.39865000 1.0 Cu Cu23 1 0.00000000 0.64955700 0.19971300 1.0 Cu Cu24 1 0.00000000 0.64965400 0.00000000 1.0 Cu Cu25 1 0.00000000 0.00000000 0.80008200 1.0 Cu Cu26 1 0.00000000 0.00000000 0.60011400 1.0 Cu Cu27 1 0.00000000 0.00000000 0.39988600 1.0 Cu Cu28 1 0.00000000 0.00000000 0.19991800 1.0 Cu Cu29 1 0.00000000 0.00000000 0.00000000 1.0 O O30 1 0.00000000 0.15830600 0.80001800 1.0 O O31 1 0.00000000 0.15781800 0.60033500 1.0 O O32 1 0.00000000 0.15781800 0.39966500 1.0 O O33 1 0.00000000 0.15830600 0.19998200 1.0 O O34 1 0.00000000 0.15837100 0.00000000 1.0 O O35 1 0.00000000 0.84169400 0.80001800 1.0 O O36 1 0.00000000 0.84218200 0.60033500 1.0 O O37 1 0.00000000 0.84218200 0.39966500 1.0 O O38 1 0.00000000 0.84169400 0.19998200 1.0 O O39 1 0.00000000 0.84162900 0.00000000 1.0 O O40 1 0.00000000 0.37874700 0.70097200 1.0 O O41 1 0.00000000 0.36881200 0.50000000 1.0 O O42 1 0.00000000 0.37874700 0.29902800 1.0 O O43 1 0.00000000 0.37838000 0.09990600 1.0 O O44 1 0.00000000 0.37838000 0.90009400 1.0 O O45 1 0.00000000 0.62125300 0.70097200 1.0 O O46 1 0.00000000 0.63118800 0.50000000 1.0 O O47 1 0.00000000 0.62125300 0.29902800 1.0 O O48 1 0.00000000 0.62162000 0.09990600 1.0 O O49 1 0.00000000 0.62162000 0.90009400 1.0 O O50 1 0.00000000 0.00000000 0.70016900 1.0 O O51 1 0.00000000 0.00000000 0.50000000 1.0 O O52 1 0.00000000 0.00000000 0.29983100 1.0 O O53 1 0.00000000 0.00000000 0.09997600 1.0 O O54 1 0.00000000 0.00000000 0.90002400 1.0 O O55 1 0.50000000 0.37884500 0.80038900 1.0 O O56 1 0.50000000 0.37489100 0.60362900 1.0 O O57 1 0.50000000 0.37489100 0.39637100 1.0 O O58 1 0.50000000 0.37884500 0.19961100 1.0 O O59 1 0.50000000 0.37887500 0.00000000 1.0 O O60 1 0.50000000 0.62115500 0.80038900 1.0 O O61 1 0.50000000 0.62510900 0.60362900 1.0 O O62 1 0.50000000 0.62510900 0.39637100 1.0 O O63 1 0.50000000 0.62115500 0.19961100 1.0 O O64 1 0.50000000 0.62112500 0.00000000 1.0