# generated using pymatgen data_Ba2LiLaCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00145336 _cell_length_b 4.23173400 _cell_length_c 11.50491710 _cell_angle_alpha 90.00000000 _cell_angle_beta 87.85270137 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiLaCu3O7 _chemical_formula_sum 'Ba2 Li1 La1 Cu3 O7' _cell_volume 194.67695603 _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 0.50360500 0.50000000 0.82390500 1.0 Ba Ba1 1 0.37892900 0.50000000 0.16069000 1.0 Li Li2 1 0.75535100 0.00000000 0.19305900 1.0 La La3 1 0.53792900 0.50000000 0.49753300 1.0 Cu Cu4 1 0.01988200 0.00000000 0.64737200 1.0 Cu Cu5 1 0.05632100 0.00000000 0.36743200 1.0 Cu Cu6 1 0.97535900 0.00000000 0.98951700 1.0 O O7 1 0.52403900 0.00000000 0.61266700 1.0 O O8 1 0.01985400 0.50000000 0.62794600 1.0 O O9 1 0.55535200 0.00000000 0.34281900 1.0 O O10 1 0.04148700 0.50000000 0.36380400 1.0 O O11 1 0.95002500 0.50000000 0.01001500 1.0 O O12 1 0.49737700 0.00000000 0.04848400 1.0 O O13 1 0.01782300 0.00000000 0.82053700 1.0