# generated using pymatgen data_Ti15Si16Mo5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62559389 _cell_length_b 6.63162372 _cell_length_c 12.13918229 _cell_angle_alpha 89.96845293 _cell_angle_beta 90.13739788 _cell_angle_gamma 90.01495587 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti15Si16Mo5 _chemical_formula_sum 'Ti15 Si16 Mo5' _cell_volume 533.37516763 _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 0.34945091 0.49518096 0.87204899 1.0 Ti Ti1 1 0.65015184 0.50351674 0.37221556 1.0 Ti Ti2 1 0.49499646 0.35039648 0.12766990 1.0 Ti Ti3 1 0.50480041 0.65076937 0.62791415 1.0 Ti Ti4 1 0.00399943 0.85049644 0.12186955 1.0 Ti Ti5 1 0.14910630 0.99582539 0.37747605 1.0 Ti Ti6 1 0.85077408 0.00486262 0.87827200 1.0 Ti Ti7 1 0.00143758 0.33852045 0.22198492 1.0 Ti Ti8 1 0.16194566 0.50149495 0.47113192 1.0 Ti Ti9 1 0.83816581 0.49842568 0.97186807 1.0 Ti Ti10 1 0.50344220 0.16197760 0.52859113 1.0 Ti Ti11 1 0.49852178 0.83860158 0.02816381 1.0 Ti Ti12 1 0.99924607 0.66089514 0.72171392 1.0 Ti Ti13 1 0.33940192 0.99925219 0.77847524 1.0 Ti Ti14 1 0.66196341 0.99769861 0.27864030 1.0 Si Si15 1 0.04164203 0.30386596 0.81409899 1.0 Si Si16 1 0.19657966 0.54272051 0.06420404 1.0 Si Si17 1 0.80182870 0.45544499 0.56423054 1.0 Si Si18 1 0.54314347 0.19701005 0.93593136 1.0 Si Si19 1 0.45668049 0.80279273 0.43551729 1.0 Si Si20 1 0.95717710 0.69725060 0.31397071 1.0 Si Si21 1 0.30309099 0.04233359 0.18569949 1.0 Si Si22 1 0.69920431 0.95894581 0.68618894 1.0 Si Si23 1 0.29234948 0.36159410 0.67372732 1.0 Si Si24 1 0.13969125 0.79211754 0.92343457 1.0 Si Si25 1 0.86052702 0.20726657 0.42334758 1.0 Si Si26 1 0.79206595 0.13998323 0.07707721 1.0 Si Si27 1 0.20661412 0.86041861 0.57594464 1.0 Si Si28 1 0.70720441 0.63951045 0.17332230 1.0 Si Si29 1 0.36024807 0.29211087 0.32624906 1.0 Si Si30 1 0.63951504 0.70833045 0.82698385 1.0 Mo Mo31 1 0.99877995 0.15159053 0.62160912 1.0 Mo Mo32 1 0.17015363 0.17005166 0.99962376 1.0 Mo Mo33 1 0.32962469 0.66957183 0.25017056 1.0 Mo Mo34 1 0.66806283 0.33213109 0.75075613 1.0 Mo Mo35 1 0.82841396 0.82704562 0.49988106 1.0