# generated using pymatgen data_Zr8Ti9Si16Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59883896 _cell_length_b 6.76722963 _cell_length_c 12.91091304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00157735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr8Ti9Si16Mo3 _chemical_formula_sum 'Zr8 Ti9 Si16 Mo3' _cell_volume 576.54790617 _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 Zr Zr0 1 0.99745515 0.17275755 0.09530838 1.0 Zr Zr1 1 0.00130905 0.82750427 0.90431608 1.0 Zr Zr2 1 0.50116679 0.67381012 0.90474434 1.0 Zr Zr3 1 0.00130905 0.82750427 0.59568392 1.0 Zr Zr4 1 0.49811822 0.32747361 0.09515279 1.0 Zr Zr5 1 0.99745515 0.17275755 0.40469162 1.0 Zr Zr6 1 0.49811822 0.32747361 0.40484721 1.0 Zr Zr7 1 0.50116679 0.67381012 0.59525566 1.0 Ti Ti8 1 0.16356162 0.49368633 0.75000000 1.0 Ti Ti9 1 0.33686083 0.17214059 0.62487745 1.0 Ti Ti10 1 0.66403419 0.82787544 0.37491039 1.0 Ti Ti11 1 0.16431312 0.67184856 0.37473329 1.0 Ti Ti12 1 0.66403419 0.82787544 0.12508961 1.0 Ti Ti13 1 0.83585807 0.32665777 0.62493383 1.0 Ti Ti14 1 0.33686083 0.17214059 0.87512255 1.0 Ti Ti15 1 0.83585807 0.32665777 0.87506617 1.0 Ti Ti16 1 0.16431312 0.67184856 0.12526671 1.0 Si Si17 1 0.03834796 0.11927027 0.75000000 1.0 Si Si18 1 0.96290370 0.88188993 0.25000000 1.0 Si Si19 1 0.46303473 0.61763628 0.25000000 1.0 Si Si20 1 0.53768747 0.38165163 0.75000000 1.0 Si Si21 1 0.29655851 0.86619201 0.75000000 1.0 Si Si22 1 0.70210774 0.13395987 0.25000000 1.0 Si Si23 1 0.20232359 0.36545279 0.25000000 1.0 Si Si24 1 0.79782426 0.63218996 0.75000000 1.0 Si Si25 1 0.16853102 0.46209726 0.53870914 1.0 Si Si26 1 0.83187473 0.53846533 0.46150468 1.0 Si Si27 1 0.33103804 0.96182123 0.46155479 1.0 Si Si28 1 0.83187473 0.53846533 0.03849532 1.0 Si Si29 1 0.66863353 0.03877197 0.53868953 1.0 Si Si30 1 0.16853102 0.46209726 0.96129086 1.0 Si Si31 1 0.66863353 0.03877197 0.96131047 1.0 Si Si32 1 0.33103804 0.96182123 0.03844521 1.0 Mo Mo33 1 0.83694974 0.50695185 0.25000000 1.0 Mo Mo34 1 0.33721501 0.99226583 0.25000000 1.0 Mo Mo35 1 0.66309919 0.00640092 0.75000000 1.0