# generated using pymatgen data_Tm8Ti9Ge16Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04991035 _cell_length_b 7.04990970 _cell_length_c 12.93836398 _cell_angle_alpha 90.01368246 _cell_angle_beta 89.98631905 _cell_angle_gamma 89.96156620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti9Ge16Mo3 _chemical_formula_sum 'Tm8 Ti9 Ge16 Mo3' _cell_volume 643.05243992 _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 0.00412014 0.66224484 0.03213019 1.0 Tm Tm1 1 0.99390260 0.33899216 0.53139127 1.0 Tm Tm2 1 0.66224484 0.00412014 0.96786981 1.0 Tm Tm3 1 0.15908626 0.49585855 0.77930506 1.0 Tm Tm4 1 0.84047167 0.50574286 0.28189303 1.0 Tm Tm5 1 0.49585855 0.15908626 0.22069494 1.0 Tm Tm6 1 0.50574286 0.84047167 0.71810697 1.0 Tm Tm7 1 0.33899216 0.99390260 0.46860873 1.0 Ti Ti8 1 0.34197997 0.50896160 0.37558594 1.0 Ti Ti9 1 0.84343684 0.99063780 0.37452170 1.0 Ti Ti10 1 0.00730951 0.15674168 0.12688171 1.0 Ti Ti11 1 0.99063780 0.84343684 0.62547830 1.0 Ti Ti12 1 0.50896160 0.34197997 0.62441406 1.0 Ti Ti13 1 0.15674168 0.00730951 0.87311829 1.0 Ti Ti14 1 0.33076292 0.33076292 0.00000000 1.0 Ti Ti15 1 0.48995938 0.65941183 0.12656214 1.0 Ti Ti16 1 0.65941183 0.48995938 0.87343786 1.0 Ge Ge17 1 0.03899530 0.70754267 0.43437611 1.0 Ge Ge18 1 0.96289218 0.29321326 0.93299162 1.0 Ge Ge19 1 0.70754267 0.03899530 0.56562389 1.0 Ge Ge20 1 0.20773576 0.46058267 0.18300765 1.0 Ge Ge21 1 0.79169618 0.53997293 0.68288712 1.0 Ge Ge22 1 0.46058267 0.20773576 0.81699235 1.0 Ge Ge23 1 0.53997293 0.79169618 0.31711288 1.0 Ge Ge24 1 0.29321326 0.96289218 0.06700838 1.0 Ge Ge25 1 0.80029465 0.87397078 0.17782728 1.0 Ge Ge26 1 0.30036990 0.62561981 0.57247743 1.0 Ge Ge27 1 0.69865875 0.37264864 0.07231848 1.0 Ge Ge28 1 0.62561981 0.30036990 0.42752257 1.0 Ge Ge29 1 0.37264864 0.69865875 0.92768152 1.0 Ge Ge30 1 0.12604684 0.20038372 0.32301880 1.0 Ge Ge31 1 0.20038372 0.12604684 0.67698120 1.0 Ge Ge32 1 0.87397078 0.80029465 0.82217272 1.0 Mo Mo33 1 0.67003761 0.67003761 0.50000000 1.0 Mo Mo34 1 0.82886782 0.17084692 0.74903800 1.0 Mo Mo35 1 0.17084692 0.82886782 0.25096200 1.0