# generated using pymatgen data_Ba10GdY4(Cu3O7)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85520089 _cell_length_b 3.93245714 _cell_length_c 59.11043466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba10GdY4(Cu3O7)5 _chemical_formula_sum 'Ba10 Gd1 Y4 Cu15 O35' _cell_volume 896.13855867 _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 0.50000000 0.03612676 1.0 Ba Ba1 1 0.50000000 0.50000000 0.23624304 1.0 Ba Ba2 1 0.50000000 0.50000000 0.43618450 1.0 Ba Ba3 1 0.50000000 0.50000000 0.63621228 1.0 Ba Ba4 1 0.50000000 0.50000000 0.83632592 1.0 Ba Ba5 1 0.50000000 0.50000000 0.16387324 1.0 Ba Ba6 1 0.50000000 0.50000000 0.36367408 1.0 Ba Ba7 1 0.50000000 0.50000000 0.56378772 1.0 Ba Ba8 1 0.50000000 0.50000000 0.76381550 1.0 Ba Ba9 1 0.50000000 0.50000000 0.96375696 1.0 Gd Gd10 1 0.50000000 0.50000000 0.10000000 1.0 Y Y11 1 0.50000000 0.50000000 0.30003603 1.0 Y Y12 1 0.50000000 0.50000000 0.50000722 1.0 Y Y13 1 0.50000000 0.50000000 0.69999278 1.0 Y Y14 1 0.50000000 0.50000000 0.89996397 1.0 Cu Cu15 1 -0.00000000 0.00000000 0.07028029 1.0 Cu Cu16 1 -0.00000000 -0.00000000 0.27047707 1.0 Cu Cu17 1 0.00000000 -0.00000000 0.47047681 1.0 Cu Cu18 1 -0.00000000 -0.00000000 0.67046529 1.0 Cu Cu19 1 0.00000000 0.00000000 0.87054039 1.0 Cu Cu20 1 0.00000000 -0.00000000 0.12971971 1.0 Cu Cu21 1 0.00000000 0.00000000 0.32945961 1.0 Cu Cu22 1 -0.00000000 0.00000000 0.52953471 1.0 Cu Cu23 1 0.00000000 0.00000000 0.72952319 1.0 Cu Cu24 1 -0.00000000 -0.00000000 0.92952293 1.0 Cu Cu25 1 -0.00000000 0.00000000 0.00000785 1.0 Cu Cu26 1 0.00000000 -0.00000000 0.19999215 1.0 Cu Cu27 1 0.00000000 -0.00000000 0.40001599 1.0 Cu Cu28 1 0.00000000 -0.00000000 0.60000000 1.0 Cu Cu29 1 -0.00000000 -0.00000000 0.79998401 1.0 O O30 1 -0.00000000 0.50000000 0.07512642 1.0 O O31 1 0.00000000 0.50000000 0.27576353 1.0 O O32 1 -0.00000000 0.50000000 0.47574074 1.0 O O33 1 -0.00000000 0.50000000 0.67573564 1.0 O O34 1 -0.00000000 0.50000000 0.87575860 1.0 O O35 1 0.00000000 0.50000000 0.12487358 1.0 O O36 1 -0.00000000 0.50000000 0.32424140 1.0 O O37 1 -0.00000000 0.50000000 0.52426436 1.0 O O38 1 -0.00000000 0.50000000 0.72425926 1.0 O O39 1 0.00000000 0.50000000 0.92423647 1.0 O O40 1 -0.00000000 0.00000000 0.03178841 1.0 O O41 1 -0.00000000 0.00000000 0.23182237 1.0 O O42 1 -0.00000000 -0.00000000 0.43184055 1.0 O O43 1 -0.00000000 -0.00000000 0.63183334 1.0 O O44 1 -0.00000000 0.00000000 0.83179419 1.0 O O45 1 -0.00000000 0.00000000 0.16821159 1.0 O O46 1 -0.00000000 -0.00000000 0.36820581 1.0 O O47 1 0.00000000 -0.00000000 0.56816666 1.0 O O48 1 -0.00000000 0.00000000 0.76815945 1.0 O O49 1 0.00000000 0.00000000 0.96817763 1.0 O O50 1 -0.00000000 0.50000000 0.99996426 1.0 O O51 1 0.00000000 0.50000000 0.20003574 1.0 O O52 1 -0.00000000 0.50000000 0.39998227 1.0 O O53 1 -0.00000000 0.50000000 0.60000000 1.0 O O54 1 -0.00000000 0.50000000 0.80001773 1.0 O O55 1 0.50000000 0.00000000 0.07531792 1.0 O O56 1 0.50000000 -0.00000000 0.27592634 1.0 O O57 1 0.50000000 0.00000000 0.47592869 1.0 O O58 1 0.50000000 0.00000000 0.67592535 1.0 O O59 1 0.50000000 -0.00000000 0.87592628 1.0 O O60 1 0.50000000 0.00000000 0.12468208 1.0 O O61 1 0.50000000 0.00000000 0.32407372 1.0 O O62 1 0.50000000 -0.00000000 0.52407465 1.0 O O63 1 0.50000000 0.00000000 0.72407131 1.0 O O64 1 0.50000000 0.00000000 0.92407366 1.0