# generated using pymatgen data_BaCo2Sn4O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.18815797 _cell_length_b 6.18815797 _cell_length_c 14.28981312 _cell_angle_alpha 89.89667330 _cell_angle_beta 89.89667330 _cell_angle_gamma 120.41133919 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaCo2Sn4O11 _chemical_formula_sum 'Ba2 Co4 Sn8 O22' _cell_volume 471.91308744 _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 0.66806100 0.33193900 0.25000000 1.0 Ba Ba1 1 0.33193900 0.66806100 0.75000000 1.0 Co Co2 1 0.33275900 0.66724100 0.25000000 1.0 Co Co3 1 0.66724100 0.33275900 0.75000000 1.0 Co Co4 1 0.50000000 0.00000000 0.00000000 1.0 Co Co5 1 0.00000000 0.50000000 0.50000000 1.0 Sn Sn6 1 0.00463600 0.00931200 0.14594700 1.0 Sn Sn7 1 0.99536400 0.99068800 0.85405300 1.0 Sn Sn8 1 0.00931200 0.00463600 0.64594700 1.0 Sn Sn9 1 0.99068800 0.99536400 0.35405300 1.0 Sn Sn10 1 0.00000000 0.50000000 0.00000000 1.0 Sn Sn11 1 0.50000000 0.50000000 0.00000000 1.0 Sn Sn12 1 0.50000000 0.00000000 0.50000000 1.0 Sn Sn13 1 0.50000000 0.50000000 0.50000000 1.0 O O14 1 0.82661600 0.65300100 0.08354300 1.0 O O15 1 0.34854100 0.17635800 0.08116000 1.0 O O16 1 0.82796900 0.17615800 0.08138500 1.0 O O17 1 0.17338400 0.34699900 0.91645700 1.0 O O18 1 0.65145900 0.82364200 0.91884000 1.0 O O19 1 0.17203100 0.82384200 0.91861500 1.0 O O20 1 0.17635800 0.34854100 0.58116000 1.0 O O21 1 0.65300100 0.82661600 0.58354300 1.0 O O22 1 0.17615800 0.82796900 0.58138500 1.0 O O23 1 0.82364200 0.65145900 0.41884000 1.0 O O24 1 0.34699900 0.17338400 0.41645700 1.0 O O25 1 0.82384200 0.17203100 0.41861500 1.0 O O26 1 0.14680500 0.85319500 0.25000000 1.0 O O27 1 0.14840000 0.29607900 0.25204100 1.0 O O28 1 0.70392100 0.85160000 0.24795900 1.0 O O29 1 0.85319500 0.14680500 0.75000000 1.0 O O30 1 0.85160000 0.70392100 0.74795900 1.0 O O31 1 0.29607900 0.14840000 0.75204100 1.0 O O32 1 0.32867600 0.65715100 0.07689900 1.0 O O33 1 0.67132400 0.34284900 0.92310100 1.0 O O34 1 0.65715100 0.32867600 0.57689900 1.0 O O35 1 0.34284900 0.67132400 0.42310100 1.0