# generated using pymatgen data_Tm8Ti7Si16Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.71759082 _cell_length_b 6.92260262 _cell_length_c 13.08396382 _cell_angle_alpha 90.05335062 _cell_angle_beta 89.94448490 _cell_angle_gamma 90.02527179 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti7Si16Mo5 _chemical_formula_sum 'Tm8 Ti7 Si16 Mo5' _cell_volume 608.44573324 _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 Tm Tm0 1 0.50291503 0.32810890 0.09706855 1.0 Tm Tm1 1 0.00266346 0.17212477 0.40334417 1.0 Tm Tm2 1 0.49684251 0.67299786 0.59643847 1.0 Tm Tm3 1 0.99736353 0.82909878 0.90327526 1.0 Tm Tm4 1 0.49590204 0.67129706 0.90170846 1.0 Tm Tm5 1 0.99851326 0.82952817 0.59598231 1.0 Tm Tm6 1 0.50190659 0.32767452 0.40528521 1.0 Tm Tm7 1 0.00311688 0.17208653 0.09732475 1.0 Ti Ti8 1 0.83729697 0.32623554 0.62672503 1.0 Ti Ti9 1 0.33321395 0.17348121 0.87232303 1.0 Ti Ti10 1 0.16595230 0.67294170 0.12673248 1.0 Ti Ti11 1 0.66468625 0.82747123 0.37428019 1.0 Ti Ti12 1 0.16593955 0.67393714 0.37430456 1.0 Ti Ti13 1 0.66665113 0.82652725 0.12701407 1.0 Ti Ti14 1 0.83384565 0.32561019 0.87066493 1.0 Si Si15 1 0.65748350 0.03917048 0.54387502 1.0 Si Si16 1 0.16061084 0.46039091 0.95770398 1.0 Si Si17 1 0.33922993 0.96052888 0.04181785 1.0 Si Si18 1 0.83954326 0.53822780 0.45805627 1.0 Si Si19 1 0.33645426 0.96009583 0.45956278 1.0 Si Si20 1 0.84024515 0.53873894 0.04227991 1.0 Si Si21 1 0.65978648 0.03920591 0.95762932 1.0 Si Si22 1 0.16392222 0.45935921 0.54287656 1.0 Si Si23 1 0.53455620 0.37419244 0.74760840 1.0 Si Si24 1 0.03882817 0.12239782 0.74959293 1.0 Si Si25 1 0.46290259 0.62419556 0.25054624 1.0 Si Si26 1 0.96361522 0.87705262 0.25050411 1.0 Si Si27 1 0.79693359 0.62658145 0.74901449 1.0 Si Si28 1 0.29864461 0.87482972 0.74983296 1.0 Si Si29 1 0.20404818 0.37323892 0.25055850 1.0 Si Si30 1 0.70348289 0.12746557 0.25024725 1.0 Mo Mo31 1 0.33159271 0.17162674 0.62588215 1.0 Mo Mo32 1 0.66315459 0.00954199 0.74957188 1.0 Mo Mo33 1 0.15950158 0.49141382 0.74934636 1.0 Mo Mo34 1 0.33899786 0.99289937 0.25048083 1.0 Mo Mo35 1 0.83965808 0.50972317 0.25053871 1.0