# generated using pymatgen data_BaLiYCu2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84925621 _cell_length_b 3.84927021 _cell_length_c 9.97890300 _cell_angle_alpha 90.00394865 _cell_angle_beta 90.00250668 _cell_angle_gamma 89.96222212 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLiYCu2O5 _chemical_formula_sum 'Ba1 Li1 Y1 Cu2 O5' _cell_volume 147.85564957 _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 0.99998200 0.99996400 0.05950300 1.0 Li Li1 1 0.00001600 0.00003300 0.69231200 1.0 Y Y2 1 0.00000800 0.00001200 0.42769900 1.0 Cu Cu3 1 0.50000900 0.50002000 0.61805700 1.0 Cu Cu4 1 0.49999300 0.49998700 0.25406100 1.0 O O5 1 0.00001000 0.50001300 0.60265000 1.0 O O6 1 0.50000400 0.00002000 0.60264300 1.0 O O7 1 0.99999700 0.49999300 0.30117200 1.0 O O8 1 0.49999700 0.99999300 0.30116700 1.0 O O9 1 0.49997900 0.49996000 0.03698700 1.0