# generated using pymatgen data_Hf20Sn12S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71644001 _cell_length_b 8.42251194 _cell_length_c 14.56906156 _cell_angle_alpha 89.99999332 _cell_angle_beta 90.00000002 _cell_angle_gamma 90.05853278 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Sn12S _chemical_formula_sum 'Hf20 Sn12 S1' _cell_volume 701.45309669 _cell_formula_units_Z 1 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 Hf Hf0 1 0.49999900 0.99999854 0.33426443 1.0 Hf Hf1 1 0.50000180 0.50000083 0.83241170 1.0 Hf Hf2 1 0.50000180 0.50000083 0.16758830 1.0 Hf Hf3 1 0.49999900 0.99999854 0.66573557 1.0 Hf Hf4 1 0.00000258 0.49999939 0.16549197 1.0 Hf Hf5 1 0.99999811 0.00000223 0.66796431 1.0 Hf Hf6 1 0.99999811 0.00000223 0.33203569 1.0 Hf Hf7 1 0.00000258 0.49999939 0.83450803 1.0 Hf Hf8 1 0.74000896 0.25004235 1.00000000 1.0 Hf Hf9 1 0.74807731 0.74690386 0.50000000 1.0 Hf Hf10 1 0.74927660 0.37814152 0.37939110 1.0 Hf Hf11 1 0.74053634 0.87429938 0.87347393 1.0 Hf Hf12 1 0.74053634 0.87429938 0.12652607 1.0 Hf Hf13 1 0.74927660 0.37814152 0.62060890 1.0 Hf Hf14 1 0.25999858 0.74995504 0.00000000 1.0 Hf Hf15 1 0.25189961 0.25309817 0.50000000 1.0 Hf Hf16 1 0.25946061 0.12569838 0.12652453 1.0 Hf Hf17 1 0.25073282 0.62185911 0.62060844 1.0 Hf Hf18 1 0.25073282 0.62185911 0.37939156 1.0 Hf Hf19 1 0.25946061 0.12569838 0.87347547 1.0 Sn Sn20 1 0.74890873 0.60581378 0.00000000 1.0 Sn Sn21 1 0.75317718 0.10657725 0.50000000 1.0 Sn Sn22 1 0.74964297 0.19857197 0.19852084 1.0 Sn Sn23 1 0.75108509 0.69511116 0.69500157 1.0 Sn Sn24 1 0.75108509 0.69511116 0.30499843 1.0 Sn Sn25 1 0.74964297 0.19857197 0.80147916 1.0 Sn Sn26 1 0.25109765 0.39418489 1.00000000 1.0 Sn Sn27 1 0.24680584 0.89342425 0.50000000 1.0 Sn Sn28 1 0.24892321 0.30488944 0.30499799 1.0 Sn Sn29 1 0.25035488 0.80142773 0.80147875 1.0 Sn Sn30 1 0.25035488 0.80142773 0.19852125 1.0 Sn Sn31 1 0.24892321 0.30488944 0.69500201 1.0 S S32 1 0.99999915 0.99999804 0.00000000 1.0