# generated using pymatgen data_AlSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76870742 _cell_length_b 5.76870742 _cell_length_c 12.34695000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999330 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlSnO3 _chemical_formula_sum 'Al6 Sn6 O18' _cell_volume 355.83394484 _cell_formula_units_Z 6 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 Al Al0 1 0.66666700 0.33333300 0.27061000 1.0 Al Al1 1 0.33333300 0.66666700 0.77061000 1.0 Al Al2 1 0.66666700 0.33333300 0.77061000 1.0 Al Al3 1 0.33333300 0.66666700 0.27061000 1.0 Al Al4 1 0.00000000 0.00000000 0.73200600 1.0 Al Al5 1 0.00000000 0.00000000 0.23200600 1.0 Sn Sn6 1 0.69976900 0.00000000 0.49746700 1.0 Sn Sn7 1 0.69976900 0.69976900 0.99746700 1.0 Sn Sn8 1 0.00000000 0.30023100 0.99746700 1.0 Sn Sn9 1 0.00000000 0.69976900 0.49746700 1.0 Sn Sn10 1 0.30023100 0.30023100 0.49746700 1.0 Sn Sn11 1 0.30023100 0.00000000 0.99746700 1.0 O O12 1 0.66666700 0.33333300 0.02788700 1.0 O O13 1 0.33333300 0.66666700 0.52788700 1.0 O O14 1 0.66666700 0.33333300 0.52788700 1.0 O O15 1 0.33333300 0.66666700 0.02788700 1.0 O O16 1 0.00000000 0.00000000 0.87868000 1.0 O O17 1 0.00000000 0.00000000 0.37868000 1.0 O O18 1 0.45505400 0.00000000 0.84151300 1.0 O O19 1 0.45505400 0.45505400 0.34151300 1.0 O O20 1 0.00000000 0.54494600 0.34151300 1.0 O O21 1 0.00000000 0.45505400 0.84151300 1.0 O O22 1 0.54494600 0.54494600 0.84151300 1.0 O O23 1 0.54494600 0.00000000 0.34151300 1.0 O O24 1 0.29938900 0.00000000 0.18346000 1.0 O O25 1 0.29938900 0.29938900 0.68346000 1.0 O O26 1 0.00000000 0.70061100 0.68346000 1.0 O O27 1 0.00000000 0.29938900 0.18346000 1.0 O O28 1 0.70061100 0.70061100 0.18346000 1.0 O O29 1 0.70061100 0.00000000 0.68346000 1.0