# generated using pymatgen data_SnO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.44913994 _cell_length_b 6.44913994 _cell_length_c 15.53144100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999936 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnO2 _chemical_formula_sum 'Sn12 O24' _cell_volume 559.43030251 _cell_formula_units_Z 12 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 Sn Sn0 1 0.98199300 0.49099700 0.16749600 1.0 Sn Sn1 1 0.16761900 0.83238100 0.49839200 1.0 Sn Sn2 1 0.33333300 0.66666700 0.33007400 1.0 Sn Sn3 1 0.50900300 0.01800700 0.16749600 1.0 Sn Sn4 1 0.66476100 0.83238100 0.49839200 1.0 Sn Sn5 1 0.50900300 0.49099700 0.16749600 1.0 Sn Sn6 1 0.00000000 0.00000000 0.66352200 1.0 Sn Sn7 1 0.16761900 0.33523900 0.49839200 1.0 Sn Sn8 1 0.32962000 0.16481000 0.83461100 1.0 Sn Sn9 1 0.83519000 0.67038000 0.83461100 1.0 Sn Sn10 1 0.83519000 0.16481000 0.83461100 1.0 Sn Sn11 1 0.33333300 0.66666700 0.95667600 1.0 O O12 1 0.35241600 0.17620800 0.09971100 1.0 O O13 1 0.82379200 0.64758400 0.09971100 1.0 O O14 1 0.66666700 0.33333300 0.24423500 1.0 O O15 1 0.82379200 0.17620800 0.09971100 1.0 O O16 1 0.04297900 0.52149000 0.42193500 1.0 O O17 1 0.19273800 0.80726200 0.24199500 1.0 O O18 1 0.33333300 0.66666700 0.08458000 1.0 O O19 1 0.19273800 0.38547700 0.24199500 1.0 O O20 1 0.47851000 0.95702100 0.42193500 1.0 O O21 1 0.33333300 0.66666700 0.56869800 1.0 O O22 1 0.47851000 0.52149000 0.42193500 1.0 O O23 1 0.61452300 0.80726200 0.24199500 1.0 O O24 1 0.71389500 0.85694800 0.75445300 1.0 O O25 1 0.85408800 0.14591200 0.57794700 1.0 O O26 1 0.00000000 0.00000000 0.43251300 1.0 O O27 1 0.85408800 0.70817700 0.57794700 1.0 O O28 1 0.00000000 0.00000000 0.90349200 1.0 O O29 1 0.14305200 0.28610500 0.75445300 1.0 O O30 1 0.14305200 0.85694800 0.75445300 1.0 O O31 1 0.29182300 0.14591200 0.57794700 1.0 O O32 1 0.50008900 0.49991100 0.90210400 1.0 O O33 1 0.50008900 0.00017700 0.90210400 1.0 O O34 1 0.66666700 0.33333300 0.77380800 1.0 O O35 1 0.99982300 0.49991100 0.90210400 1.0