# generated using pymatgen data_Zr9Ti8Si16W3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81153304 _cell_length_b 6.80898691 _cell_length_c 12.52793487 _cell_angle_alpha 90.15866620 _cell_angle_beta 89.86027764 _cell_angle_gamma 89.96995301 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr9Ti8Si16W3 _chemical_formula_sum 'Zr9 Ti8 Si16 W3' _cell_volume 581.03706318 _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 0.15154747 0.00173889 0.87283602 1.0 Zr Zr1 1 0.00252779 0.65812763 0.03246598 1.0 Zr Zr2 1 0.99680601 0.34301435 0.52991440 1.0 Zr Zr3 1 0.65727628 0.00269821 0.96966858 1.0 Zr Zr4 1 0.15681169 0.49769287 0.78057866 1.0 Zr Zr5 1 0.84234655 0.50218643 0.28048315 1.0 Zr Zr6 1 0.49896394 0.15812677 0.22045881 1.0 Zr Zr7 1 0.50090635 0.84143604 0.71804878 1.0 Zr Zr8 1 0.34194488 0.99826799 0.46794011 1.0 Ti Ti9 1 0.34708910 0.50520357 0.37593109 1.0 Ti Ti10 1 0.84835366 0.99538330 0.37225130 1.0 Ti Ti11 1 0.00624200 0.15185798 0.12681979 1.0 Ti Ti12 1 0.99416163 0.84914229 0.62747657 1.0 Ti Ti13 1 0.65285232 0.49288726 0.87765378 1.0 Ti Ti14 1 0.50511529 0.34902117 0.62256430 1.0 Ti Ti15 1 0.49637739 0.65081999 0.12431898 1.0 Ti Ti16 1 0.66988486 0.67097468 0.49962288 1.0 Si Si17 1 0.04536461 0.70649332 0.43625911 1.0 Si Si18 1 0.95155900 0.30043062 0.93741039 1.0 Si Si19 1 0.70536185 0.04657591 0.56295838 1.0 Si Si20 1 0.20693305 0.45375784 0.18666379 1.0 Si Si21 1 0.79320735 0.54512413 0.68451322 1.0 Si Si22 1 0.45927602 0.20853560 0.81196494 1.0 Si Si23 1 0.54623769 0.79341402 0.31478569 1.0 Si Si24 1 0.29801258 0.95273432 0.06829315 1.0 Si Si25 1 0.85671518 0.78816949 0.82071495 1.0 Si Si26 1 0.13327966 0.20723238 0.32284327 1.0 Si Si27 1 0.79342935 0.86734714 0.17792981 1.0 Si Si28 1 0.29223340 0.63446937 0.57097639 1.0 Si Si29 1 0.70711173 0.36595596 0.07407632 1.0 Si Si30 1 0.63369422 0.29402033 0.42783872 1.0 Si Si31 1 0.36944175 0.69839418 0.93013562 1.0 Si Si32 1 0.20824395 0.13628176 0.67263051 1.0 W W33 1 0.82740237 0.17392434 0.74914541 1.0 W W34 1 0.17143222 0.82927614 0.25051621 1.0 W W35 1 0.33185576 0.32927975 0.00130996 1.0