# generated using pymatgen data_Tm8Ti9Si16Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93951812 _cell_length_b 6.93951820 _cell_length_c 12.76446916 _cell_angle_alpha 90.01916958 _cell_angle_beta 89.98082921 _cell_angle_gamma 89.96049408 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti9Si16Mo3 _chemical_formula_sum 'Tm8 Ti9 Si16 Mo3' _cell_volume 614.69720658 _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 0.33956337 0.99977880 0.46642853 1.0 Tm Tm1 1 0.50003203 0.84142419 0.71835655 1.0 Tm Tm2 1 0.49833180 0.15840326 0.21640533 1.0 Tm Tm3 1 0.84142419 0.50003203 0.28164345 1.0 Tm Tm4 1 0.15840326 0.49833180 0.78359467 1.0 Tm Tm5 1 0.65964764 0.00201062 0.96689337 1.0 Tm Tm6 1 0.99977880 0.33956337 0.53357147 1.0 Tm Tm7 1 0.00201062 0.65964764 0.03310663 1.0 Ti Ti8 1 0.67258284 0.67258284 0.50000000 1.0 Ti Ti9 1 0.15197532 0.00878064 0.87610249 1.0 Ti Ti10 1 0.49118281 0.65303375 0.12552497 1.0 Ti Ti11 1 0.50863316 0.34681464 0.62786401 1.0 Ti Ti12 1 0.65303375 0.49118281 0.87447503 1.0 Ti Ti13 1 0.34681464 0.50863316 0.37213599 1.0 Ti Ti14 1 0.84909971 0.99211786 0.37507152 1.0 Ti Ti15 1 0.00878064 0.15197532 0.12389751 1.0 Ti Ti16 1 0.99211786 0.84909971 0.62492848 1.0 Si Si17 1 0.20226097 0.13126195 0.68361053 1.0 Si Si18 1 0.36925475 0.70229944 0.93327631 1.0 Si Si19 1 0.63181892 0.29706797 0.43376616 1.0 Si Si20 1 0.70229944 0.36925475 0.06672369 1.0 Si Si21 1 0.29706797 0.63181892 0.56623384 1.0 Si Si22 1 0.79725760 0.86899065 0.18333956 1.0 Si Si23 1 0.13126195 0.20226097 0.31638947 1.0 Si Si24 1 0.86899065 0.79725760 0.81666044 1.0 Si Si25 1 0.29254617 0.95273021 0.06395108 1.0 Si Si26 1 0.54742155 0.79213735 0.31415613 1.0 Si Si27 1 0.45206163 0.20782901 0.81504381 1.0 Si Si28 1 0.79213735 0.54742155 0.68584387 1.0 Si Si29 1 0.20782901 0.45206163 0.18495619 1.0 Si Si30 1 0.70672714 0.04768158 0.56530185 1.0 Si Si31 1 0.95273021 0.29254617 0.93604892 1.0 Si Si32 1 0.04768158 0.70672714 0.43469815 1.0 Mo Mo33 1 0.32672086 0.32672086 0.00000000 1.0 Mo Mo34 1 0.17403500 0.82648581 0.24883375 1.0 Mo Mo35 1 0.82648581 0.17403500 0.75116625 1.0