# generated using pymatgen data_Zr8Ti12Si9P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73986089 _cell_length_b 6.74684945 _cell_length_c 12.40144470 _cell_angle_alpha 90.11183019 _cell_angle_beta 90.02863911 _cell_angle_gamma 90.01537597 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti12Si9P7 _chemical_formula_sum 'Zr8 Ti12 Si9 P7' _cell_volume 563.92758154 _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 Zr Zr0 1 0.00257356 0.65311269 0.03004037 1.0 Zr Zr1 1 0.99562141 0.34529018 0.52981248 1.0 Zr Zr2 1 0.65796448 0.00468042 0.96890888 1.0 Zr Zr3 1 0.15580738 0.49661764 0.77984927 1.0 Zr Zr4 1 0.84535961 0.50405021 0.28015455 1.0 Zr Zr5 1 0.49635790 0.15509225 0.22088712 1.0 Zr Zr6 1 0.50454364 0.84515640 0.71941634 1.0 Zr Zr7 1 0.34502335 0.99585588 0.47042475 1.0 Ti Ti8 1 0.34169002 0.50880955 0.37589169 1.0 Ti Ti9 1 0.84173815 0.99111908 0.37477602 1.0 Ti Ti10 1 0.00591303 0.16060055 0.12640503 1.0 Ti Ti11 1 0.99128504 0.84180656 0.62561014 1.0 Ti Ti12 1 0.65749515 0.49169350 0.87504275 1.0 Ti Ti13 1 0.50932524 0.34207029 0.62427106 1.0 Ti Ti14 1 0.49298908 0.65427223 0.12577076 1.0 Ti Ti15 1 0.15777118 0.01045477 0.87177508 1.0 Ti Ti16 1 0.67075820 0.67099757 0.50009861 1.0 Ti Ti17 1 0.82917305 0.17138683 0.74953998 1.0 Ti Ti18 1 0.16987592 0.82779824 0.25183849 1.0 Ti Ti19 1 0.32897236 0.33027624 0.99930810 1.0 Si Si20 1 0.29225751 0.95330106 0.06323945 1.0 Si Si21 1 0.86980721 0.79510630 0.82478009 1.0 Si Si22 1 0.13080123 0.20320526 0.32527411 1.0 Si Si23 1 0.79659361 0.86923293 0.17457119 1.0 Si Si24 1 0.29629968 0.63045277 0.57526599 1.0 Si Si25 1 0.70297695 0.36815488 0.07479540 1.0 Si Si26 1 0.63040343 0.29630245 0.42488708 1.0 Si Si27 1 0.36860428 0.70700705 0.92686737 1.0 Si Si28 1 0.20427082 0.13129254 0.67394863 1.0 P P29 1 0.04478384 0.70763389 0.43704896 1.0 P P30 1 0.95472303 0.29186567 0.93607619 1.0 P P31 1 0.70818154 0.04535099 0.56361319 1.0 P P32 1 0.20784534 0.45456588 0.18610893 1.0 P P33 1 0.79231783 0.54553137 0.68654183 1.0 P P34 1 0.45479087 0.20781649 0.81356009 1.0 P P35 1 0.54510407 0.79204041 0.31360403 1.0