# generated using pymatgen data_BaLaTiCuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95741200 _cell_length_b 5.61419300 _cell_length_c 22.26581000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaLaTiCuO6 _chemical_formula_sum 'Ba4 La4 Ti4 Cu4 O24' _cell_volume 494.69452459 _cell_formula_units_Z 4 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 0.75000000 0.80575700 1.0 Ba Ba1 1 0.00000000 0.25000000 0.93599400 1.0 Ba Ba2 1 0.00000000 0.75000000 0.06400600 1.0 Ba Ba3 1 0.00000000 0.25000000 0.19424300 1.0 La La4 1 0.00000000 0.75000000 0.31903300 1.0 La La5 1 0.00000000 0.25000000 0.43847300 1.0 La La6 1 0.00000000 0.75000000 0.56152700 1.0 La La7 1 0.00000000 0.25000000 0.68096700 1.0 Ti Ti8 1 0.50000000 0.75000000 0.93563100 1.0 Ti Ti9 1 0.50000000 0.25000000 0.80777000 1.0 Ti Ti10 1 0.50000000 0.75000000 0.19223000 1.0 Ti Ti11 1 0.50000000 0.25000000 0.06436900 1.0 Cu Cu12 1 0.50000000 0.75000000 0.43895800 1.0 Cu Cu13 1 0.50000000 0.25000000 0.31711800 1.0 Cu Cu14 1 0.50000000 0.25000000 0.56104200 1.0 Cu Cu15 1 0.50000000 0.75000000 0.68288200 1.0 O O16 1 0.00000000 0.25000000 0.80605800 1.0 O O17 1 0.00000000 0.75000000 0.93587200 1.0 O O18 1 0.00000000 0.25000000 0.06412800 1.0 O O19 1 0.00000000 0.75000000 0.19394200 1.0 O O20 1 0.00000000 0.25000000 0.32311200 1.0 O O21 1 0.00000000 0.75000000 0.43670100 1.0 O O22 1 0.00000000 0.25000000 0.56329900 1.0 O O23 1 0.00000000 0.75000000 0.67688800 1.0 O O24 1 0.50000000 0.50138900 0.87137900 1.0 O O25 1 0.50000000 0.00000000 0.00000000 1.0 O O26 1 0.50000000 0.49861100 0.12862100 1.0 O O27 1 0.50000000 0.98559600 0.25689900 1.0 O O28 1 0.50000000 0.49902500 0.37846600 1.0 O O29 1 0.50000000 0.00000000 0.50000000 1.0 O O30 1 0.50000000 0.50097500 0.62153400 1.0 O O31 1 0.50000000 0.01440400 0.74310100 1.0 O O32 1 0.50000000 0.99861100 0.87137900 1.0 O O33 1 0.50000000 0.50000000 0.00000000 1.0 O O34 1 0.50000000 0.00138900 0.12862100 1.0 O O35 1 0.50000000 0.51440400 0.25689900 1.0 O O36 1 0.50000000 0.00097500 0.37846600 1.0 O O37 1 0.50000000 0.99902500 0.62153400 1.0 O O38 1 0.50000000 0.50000000 0.50000000 1.0 O O39 1 0.50000000 0.48559600 0.74310100 1.0