# generated using pymatgen data_Ti20Si12P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15188192 _cell_length_b 7.50682069 _cell_length_c 12.97779806 _cell_angle_alpha 89.99999796 _cell_angle_beta 90.00000784 _cell_angle_gamma 90.02576256 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti20Si12P _chemical_formula_sum 'Ti20 Si12 P1' _cell_volume 501.90660535 _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 Ti Ti0 1 0.49999988 0.00000098 0.33495148 1.0 Ti Ti1 1 0.50000006 0.50000014 0.83195408 1.0 Ti Ti2 1 0.49999988 0.50000029 0.16804821 1.0 Ti Ti3 1 0.50000033 0.00000027 0.66504616 1.0 Ti Ti4 1 0.99999890 0.50000030 0.16682582 1.0 Ti Ti5 1 0.00000054 0.00000027 0.66641050 1.0 Ti Ti6 1 0.00000007 0.00000071 0.33358595 1.0 Ti Ti7 1 0.99999982 0.50000065 0.83317749 1.0 Ti Ti8 1 0.73812860 0.25960737 0.00000422 1.0 Ti Ti9 1 0.74926958 0.75273562 0.49999517 1.0 Ti Ti10 1 0.74915887 0.37663650 0.37757696 1.0 Ti Ti11 1 0.73995288 0.86895146 0.86805055 1.0 Ti Ti12 1 0.73995075 0.86895020 0.13195543 1.0 Ti Ti13 1 0.74915937 0.37663921 0.62241723 1.0 Ti Ti14 1 0.26187187 0.74039225 0.00000371 1.0 Ti Ti15 1 0.25073203 0.24726594 0.49999490 1.0 Ti Ti16 1 0.26004950 0.13104849 0.13195535 1.0 Ti Ti17 1 0.25084071 0.62336047 0.62241742 1.0 Ti Ti18 1 0.25084106 0.62336353 0.37757697 1.0 Ti Ti19 1 0.26004748 0.13104610 0.86805038 1.0 Si Si20 1 0.75135035 0.60561807 0.00000194 1.0 Si Si21 1 0.75205553 0.10914300 0.49999836 1.0 Si Si22 1 0.75140521 0.19863062 0.19957875 1.0 Si Si23 1 0.75097774 0.69469725 0.69364880 1.0 Si Si24 1 0.75097852 0.69468934 0.30634627 1.0 Si Si25 1 0.75140908 0.19862963 0.80042340 1.0 Si Si26 1 0.24864810 0.39438191 0.00000212 1.0 Si Si27 1 0.24794604 0.89085693 0.49999852 1.0 Si Si28 1 0.24901821 0.30531362 0.30634725 1.0 Si Si29 1 0.24859232 0.80136915 0.80042286 1.0 Si Si30 1 0.24859529 0.80136880 0.19957914 1.0 Si Si31 1 0.24902249 0.30530377 0.69364792 1.0 P P32 1 0.99999994 0.99999915 0.00000367 1.0