# generated using pymatgen data_Th3Sn13Os4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.82274300 _cell_length_b 9.82274300 _cell_length_c 9.82274300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Sn13Os4 _chemical_formula_sum 'Th6 Sn26 Os8' _cell_volume 947.75993190 _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 Th Th0 1 0.25000000 0.00000000 0.50000000 1.0 Th Th1 1 0.75000000 0.00000000 0.50000000 1.0 Th Th2 1 0.50000000 0.25000000 0.00000000 1.0 Th Th3 1 0.50000000 0.75000000 0.00000000 1.0 Th Th4 1 0.00000000 0.50000000 0.25000000 1.0 Th Th5 1 0.00000000 0.50000000 0.75000000 1.0 Sn Sn6 1 0.00000000 0.00000000 0.00000000 1.0 Sn Sn7 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn8 1 0.00000000 0.15260100 0.30513200 1.0 Sn Sn9 1 0.00000000 0.84739900 0.69486800 1.0 Sn Sn10 1 0.00000000 0.84739900 0.30513200 1.0 Sn Sn11 1 0.00000000 0.15260100 0.69486800 1.0 Sn Sn12 1 0.30513200 0.00000000 0.15260100 1.0 Sn Sn13 1 0.65260100 0.50000000 0.19486800 1.0 Sn Sn14 1 0.69486800 0.00000000 0.84739900 1.0 Sn Sn15 1 0.34739900 0.50000000 0.80513200 1.0 Sn Sn16 1 0.30513200 0.00000000 0.84739900 1.0 Sn Sn17 1 0.34739900 0.50000000 0.19486800 1.0 Sn Sn18 1 0.69486800 0.00000000 0.15260100 1.0 Sn Sn19 1 0.65260100 0.50000000 0.80513200 1.0 Sn Sn20 1 0.15260100 0.30513200 0.00000000 1.0 Sn Sn21 1 0.50000000 0.80513200 0.34739900 1.0 Sn Sn22 1 0.84739900 0.69486800 0.00000000 1.0 Sn Sn23 1 0.50000000 0.19486800 0.65260100 1.0 Sn Sn24 1 0.15260100 0.69486800 0.00000000 1.0 Sn Sn25 1 0.50000000 0.19486800 0.34739900 1.0 Sn Sn26 1 0.84739900 0.30513200 0.00000000 1.0 Sn Sn27 1 0.50000000 0.80513200 0.65260100 1.0 Sn Sn28 1 0.19486800 0.65260100 0.50000000 1.0 Sn Sn29 1 0.80513200 0.34739900 0.50000000 1.0 Sn Sn30 1 0.19486800 0.34739900 0.50000000 1.0 Sn Sn31 1 0.80513200 0.65260100 0.50000000 1.0 Os Os32 1 0.25000000 0.25000000 0.25000000 1.0 Os Os33 1 0.75000000 0.75000000 0.75000000 1.0 Os Os34 1 0.75000000 0.75000000 0.25000000 1.0 Os Os35 1 0.75000000 0.25000000 0.75000000 1.0 Os Os36 1 0.25000000 0.25000000 0.75000000 1.0 Os Os37 1 0.25000000 0.75000000 0.25000000 1.0 Os Os38 1 0.25000000 0.75000000 0.75000000 1.0 Os Os39 1 0.75000000 0.25000000 0.25000000 1.0