# generated using pymatgen data_Tm8Ti11Si16Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96961298 _cell_length_b 6.96961297 _cell_length_c 12.81269587 _cell_angle_alpha 90.01068655 _cell_angle_beta 89.98931335 _cell_angle_gamma 90.00930749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti11Si16Mo _chemical_formula_sum 'Tm8 Ti11 Si16 Mo1' _cell_volume 622.38314234 _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 0.34037905 0.00234814 0.46681196 1.0 Tm Tm1 1 0.49786397 0.83952376 0.71740348 1.0 Tm Tm2 1 0.49972472 0.15991721 0.21479173 1.0 Tm Tm3 1 0.83952376 0.49786397 0.28259652 1.0 Tm Tm4 1 0.15991721 0.49972472 0.78520827 1.0 Tm Tm5 1 0.65750433 0.00004892 0.96714623 1.0 Tm Tm6 1 0.00234814 0.34037905 0.53318804 1.0 Tm Tm7 1 0.00004892 0.65750433 0.03285377 1.0 Ti Ti8 1 0.17264152 0.82761712 0.24920769 1.0 Ti Ti9 1 0.82761712 0.17264152 0.75079231 1.0 Ti Ti10 1 0.67221816 0.67221816 0.50000000 1.0 Ti Ti11 1 0.15316480 0.00893146 0.87702151 1.0 Ti Ti12 1 0.49212110 0.65134485 0.12412898 1.0 Ti Ti13 1 0.50694941 0.35024445 0.62656675 1.0 Ti Ti14 1 0.65134485 0.49212110 0.87587102 1.0 Ti Ti15 1 0.35024445 0.50694941 0.37343325 1.0 Ti Ti16 1 0.84882091 0.99241131 0.37636161 1.0 Ti Ti17 1 0.00893146 0.15316480 0.12297849 1.0 Ti Ti18 1 0.99241131 0.84882091 0.62363839 1.0 Si Si19 1 0.20314547 0.13203873 0.68393848 1.0 Si Si20 1 0.36866543 0.70292118 0.93318970 1.0 Si Si21 1 0.63283365 0.29655357 0.43360169 1.0 Si Si22 1 0.70292118 0.36866543 0.06681030 1.0 Si Si23 1 0.29655357 0.63283365 0.56639831 1.0 Si Si24 1 0.79668885 0.86821221 0.18332439 1.0 Si Si25 1 0.13203873 0.20314547 0.31606152 1.0 Si Si26 1 0.86821221 0.79668885 0.81667561 1.0 Si Si27 1 0.29157973 0.95287646 0.06404034 1.0 Si Si28 1 0.54605527 0.79346436 0.31393791 1.0 Si Si29 1 0.45312072 0.20720224 0.81473245 1.0 Si Si30 1 0.79346436 0.54605527 0.68606209 1.0 Si Si31 1 0.20720224 0.45312072 0.18526755 1.0 Si Si32 1 0.70699918 0.04709403 0.56453468 1.0 Si Si33 1 0.95287646 0.29157973 0.93595966 1.0 Si Si34 1 0.04709403 0.70699918 0.43546532 1.0 Mo Mo35 1 0.32677175 0.32677175 0.00000000 1.0