# generated using pymatgen data_Ba10Gd4Y(Cu3O7)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92824267 _cell_length_b 11.84618144 _cell_length_c 19.24081414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10Gd4Y(Cu3O7)5 _chemical_formula_sum 'Ba10 Gd4 Y1 Cu15 O35' _cell_volume 895.36504061 _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 0.18012035 0.10003802 1.0 Ba Ba1 1 0.50000000 0.18014015 0.29994118 1.0 Ba Ba2 1 0.50000000 0.18014015 0.50005882 1.0 Ba Ba3 1 0.50000000 0.18012035 0.69996198 1.0 Ba Ba4 1 0.50000000 0.18046618 0.90000000 1.0 Ba Ba5 1 0.50000000 0.81987965 0.10003802 1.0 Ba Ba6 1 0.50000000 0.81985985 0.29994118 1.0 Ba Ba7 1 0.50000000 0.81985985 0.50005882 1.0 Ba Ba8 1 0.50000000 0.81987965 0.69996198 1.0 Ba Ba9 1 0.50000000 0.81953382 0.90000000 1.0 Gd Gd10 1 0.50000000 0.50000000 0.09977072 1.0 Gd Gd11 1 0.50000000 0.50000000 0.29994063 1.0 Gd Gd12 1 0.50000000 0.50000000 0.50005937 1.0 Gd Gd13 1 0.50000000 0.50000000 0.70022928 1.0 Y Y14 1 0.50000000 0.50000000 0.90000000 1.0 Cu Cu15 1 -0.00000000 0.35142869 0.99958603 1.0 Cu Cu16 1 -0.00000000 0.35079658 0.19994266 1.0 Cu Cu17 1 0.00000000 0.35076063 0.40000000 1.0 Cu Cu18 1 0.00000000 0.35079658 0.60005734 1.0 Cu Cu19 1 -0.00000000 0.35142869 0.80041397 1.0 Cu Cu20 1 0.00000000 0.64857131 0.99958603 1.0 Cu Cu21 1 0.00000000 0.64920342 0.19994266 1.0 Cu Cu22 1 0.00000000 0.64923937 0.40000000 1.0 Cu Cu23 1 0.00000000 0.64920342 0.60005734 1.0 Cu Cu24 1 -0.00000000 0.64857131 0.80041397 1.0 Cu Cu25 1 -0.00000000 -0.00000000 -0.00002099 1.0 Cu Cu26 1 0.00000000 -0.00000000 0.19997821 1.0 Cu Cu27 1 0.00000000 -0.00000000 0.40000000 1.0 Cu Cu28 1 -0.00000000 -0.00000000 0.60002179 1.0 Cu Cu29 1 0.00000000 -0.00000000 0.80002099 1.0 O O30 1 0.00000000 0.15848112 -0.00009257 1.0 O O31 1 0.00000000 0.15824546 0.19997953 1.0 O O32 1 -0.00000000 0.15829708 0.40000000 1.0 O O33 1 0.00000000 0.15824546 0.60002047 1.0 O O34 1 0.00000000 0.15848112 0.80009257 1.0 O O35 1 0.00000000 0.84151888 -0.00009257 1.0 O O36 1 -0.00000000 0.84175454 0.19997953 1.0 O O37 1 -0.00000000 0.84170292 0.40000000 1.0 O O38 1 -0.00000000 0.84175454 0.60002047 1.0 O O39 1 0.00000000 0.84151888 0.80009257 1.0 O O40 1 0.50000000 0.37741374 0.99883631 1.0 O O41 1 0.50000000 0.37614042 0.19989305 1.0 O O42 1 0.50000000 0.37612723 0.40000000 1.0 O O43 1 0.50000000 0.37614042 0.60010695 1.0 O O44 1 0.50000000 0.37741374 0.80116369 1.0 O O45 1 0.50000000 0.62258626 0.99883631 1.0 O O46 1 0.50000000 0.62385958 0.19989305 1.0 O O47 1 0.50000000 0.62387277 0.40000000 1.0 O O48 1 0.50000000 0.62385958 0.60010695 1.0 O O49 1 0.50000000 0.62258626 0.80116369 1.0 O O50 1 0.50000000 -0.00000000 0.00000486 1.0 O O51 1 0.50000000 -0.00000000 0.19993019 1.0 O O52 1 0.50000000 -0.00000000 0.40000000 1.0 O O53 1 0.50000000 -0.00000000 0.60006981 1.0 O O54 1 0.50000000 -0.00000000 0.79999514 1.0 O O55 1 0.00000000 0.37679713 0.09969960 1.0 O O56 1 0.00000000 0.37689256 0.29999123 1.0 O O57 1 -0.00000000 0.37689256 0.50000877 1.0 O O58 1 -0.00000000 0.37679713 0.70030040 1.0 O O59 1 -0.00000000 0.37984332 0.90000000 1.0 O O60 1 0.00000000 0.62320287 0.09969960 1.0 O O61 1 0.00000000 0.62310744 0.29999123 1.0 O O62 1 -0.00000000 0.62310744 0.50000877 1.0 O O63 1 0.00000000 0.62320287 0.70030040 1.0 O O64 1 -0.00000000 0.62015668 0.90000000 1.0