# generated using pymatgen data_BaSrY4(CuO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68948100 _cell_length_b 7.21642900 _cell_length_c 12.20445000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSrY4(CuO5)2 _chemical_formula_sum 'Ba2 Sr2 Y8 Cu4 O20' _cell_volume 501.08708226 _cell_formula_units_Z 2 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 0.00000000 0.32005400 0.40608500 1.0 Ba Ba1 1 0.00000000 0.67994600 0.90608500 1.0 Sr Sr2 1 0.50000000 0.17576000 0.59106900 1.0 Sr Sr3 1 0.50000000 0.82424000 0.09106900 1.0 Y Y4 1 0.00000000 0.13700600 0.78689800 1.0 Y Y5 1 0.00000000 0.86299400 0.28689800 1.0 Y Y6 1 0.50000000 0.36345000 0.21258600 1.0 Y Y7 1 0.50000000 0.63655000 0.71258600 1.0 Y Y8 1 0.00000000 0.85533300 0.57407000 1.0 Y Y9 1 0.00000000 0.14466700 0.07407000 1.0 Y Y10 1 0.50000000 0.64568700 0.42649200 1.0 Y Y11 1 0.50000000 0.35431300 0.92649200 1.0 Cu Cu12 1 0.00000000 0.53197800 0.16130900 1.0 Cu Cu13 1 0.00000000 0.46802200 0.66130900 1.0 Cu Cu14 1 0.50000000 0.96928700 0.83821700 1.0 Cu Cu15 1 0.50000000 0.03071300 0.33821700 1.0 O O16 1 0.00000000 0.17059600 0.59949300 1.0 O O17 1 0.00000000 0.82940400 0.09949300 1.0 O O18 1 0.50000000 0.32667100 0.40556800 1.0 O O19 1 0.50000000 0.67332900 0.90556800 1.0 O O20 1 0.25739600 0.90005400 0.72482700 1.0 O O21 1 0.74260400 0.09994600 0.22482700 1.0 O O22 1 0.75267300 0.60384900 0.27295200 1.0 O O23 1 0.24732700 0.39615100 0.77295200 1.0 O O24 1 0.24732700 0.60384900 0.27295200 1.0 O O25 1 0.75267300 0.39615100 0.77295200 1.0 O O26 1 0.74260400 0.90005400 0.72482700 1.0 O O27 1 0.25739600 0.09994600 0.22482700 1.0 O O28 1 0.74251400 0.08489900 0.93339200 1.0 O O29 1 0.25748600 0.91510100 0.43339200 1.0 O O30 1 0.24338200 0.41371800 0.06793500 1.0 O O31 1 0.75661800 0.58628200 0.56793500 1.0 O O32 1 0.75661800 0.41371800 0.06793500 1.0 O O33 1 0.24338200 0.58628200 0.56793500 1.0 O O34 1 0.25748600 0.08489900 0.93339200 1.0 O O35 1 0.74251400 0.91510100 0.43339200 1.0