# generated using pymatgen data_Hf8Ta11TiSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81411441 _cell_length_b 6.81083050 _cell_length_c 12.56020611 _cell_angle_alpha 90.00630947 _cell_angle_beta 89.98970640 _cell_angle_gamma 89.99229685 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ta11TiSi16 _chemical_formula_sum 'Hf8 Ta11 Ti1 Si16' _cell_volume 582.91636301 _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 Hf Hf0 1 0.33967440 0.99914471 0.47012409 1.0 Hf Hf1 1 0.50182516 0.83900570 0.71984464 1.0 Hf Hf2 1 0.49914770 0.16176033 0.22008891 1.0 Hf Hf3 1 0.83880906 0.50123116 0.28045924 1.0 Hf Hf4 1 0.16137959 0.49782888 0.77986343 1.0 Hf Hf5 1 0.66158371 0.00005883 0.96964700 1.0 Hf Hf6 1 0.99922439 0.33860468 0.53005861 1.0 Hf Hf7 1 0.00071795 0.66181071 0.02968325 1.0 Ta Ta8 1 0.33004192 0.32963553 0.99991302 1.0 Ta Ta9 1 0.16970850 0.82955564 0.25032977 1.0 Ta Ta10 1 0.83026122 0.16989757 0.74974823 1.0 Ta Ta11 1 0.66947744 0.67039622 0.50005798 1.0 Ta Ta12 1 0.15240017 0.00332104 0.87354874 1.0 Ta Ta13 1 0.49673427 0.65246778 0.12348425 1.0 Ta Ta14 1 0.50301311 0.34778447 0.62365725 1.0 Ta Ta15 1 0.65258910 0.49661495 0.87626067 1.0 Ta Ta16 1 0.34674708 0.50340957 0.37678651 1.0 Ta Ta17 1 0.84661495 0.99679318 0.37330076 1.0 Ta Ta18 1 0.00336950 0.15247595 0.12631027 1.0 Ti Ti19 1 0.99597429 0.84734593 0.62664214 1.0 Si Si20 1 0.20717079 0.13163769 0.67583911 1.0 Si Si21 1 0.36423522 0.70826806 0.92670657 1.0 Si Si22 1 0.63556970 0.29168167 0.42763989 1.0 Si Si23 1 0.70840484 0.36390387 0.07273290 1.0 Si Si24 1 0.28881776 0.63803566 0.57436196 1.0 Si Si25 1 0.79165073 0.86417010 0.17717833 1.0 Si Si26 1 0.13551133 0.20815479 0.32319591 1.0 Si Si27 1 0.86526744 0.79179389 0.82098174 1.0 Si Si28 1 0.30029588 0.95583877 0.06373326 1.0 Si Si29 1 0.54342120 0.79996558 0.31387309 1.0 Si Si30 1 0.45563799 0.19979974 0.81321331 1.0 Si Si31 1 0.80195379 0.54628592 0.68524962 1.0 Si Si32 1 0.19972089 0.45597846 0.18639098 1.0 Si Si33 1 0.70353688 0.04296588 0.56453994 1.0 Si Si34 1 0.95588424 0.30023769 0.93600009 1.0 Si Si35 1 0.04362779 0.70214341 0.43855253 1.0