# generated using pymatgen data_Ti17Nb2Si16W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68151577 _cell_length_b 6.68151621 _cell_length_c 12.20840278 _cell_angle_alpha 89.99178169 _cell_angle_beta 90.00821622 _cell_angle_gamma 89.98168253 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti17Nb2Si16W _chemical_formula_sum 'Ti17 Nb2 Si16 W1' _cell_volume 545.01548512 _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 Ti Ti0 1 0.99551341 0.14978693 0.62170620 1.0 Ti Ti1 1 0.35069616 0.49463710 0.87170560 1.0 Ti Ti2 1 0.64919659 0.50521417 0.37154620 1.0 Ti Ti3 1 0.49463710 0.35069616 0.12829440 1.0 Ti Ti4 1 0.50521417 0.64919659 0.62845380 1.0 Ti Ti5 1 0.00578779 0.85007942 0.12042210 1.0 Ti Ti6 1 0.14978693 0.99551341 0.37829380 1.0 Ti Ti7 1 0.85007942 0.00578779 0.87957790 1.0 Ti Ti8 1 0.00380915 0.34412998 0.21988247 1.0 Ti Ti9 1 0.15749733 0.50392157 0.46935852 1.0 Ti Ti10 1 0.84067445 0.49581306 0.97018785 1.0 Ti Ti11 1 0.50392157 0.15749733 0.53064148 1.0 Ti Ti12 1 0.49581306 0.84067445 0.02981215 1.0 Ti Ti13 1 0.99686337 0.65747707 0.72039005 1.0 Ti Ti14 1 0.34412998 0.00380915 0.78011753 1.0 Ti Ti15 1 0.65747707 0.99686337 0.27960995 1.0 Ti Ti16 1 0.83025230 0.83025230 0.50000000 1.0 Nb Nb17 1 0.32864764 0.67067440 0.24946769 1.0 Nb Nb18 1 0.67067440 0.32864764 0.75053231 1.0 Si Si19 1 0.04760120 0.30024261 0.81347253 1.0 Si Si20 1 0.19639274 0.54212023 0.06131893 1.0 Si Si21 1 0.80392008 0.45705127 0.56129732 1.0 Si Si22 1 0.54212023 0.19639274 0.93868107 1.0 Si Si23 1 0.45705127 0.80392008 0.43870268 1.0 Si Si24 1 0.95237327 0.69999845 0.31405429 1.0 Si Si25 1 0.30024261 0.04760120 0.18652747 1.0 Si Si26 1 0.69999845 0.95237327 0.68594571 1.0 Si Si27 1 0.29103998 0.36017778 0.67180417 1.0 Si Si28 1 0.14072232 0.79347202 0.92178589 1.0 Si Si29 1 0.85820695 0.20599483 0.42301874 1.0 Si Si30 1 0.79347202 0.14072232 0.07821411 1.0 Si Si31 1 0.20599483 0.85820695 0.57698126 1.0 Si Si32 1 0.70889061 0.64061640 0.17242464 1.0 Si Si33 1 0.36017778 0.29103998 0.32819583 1.0 Si Si34 1 0.64061640 0.70889061 0.82757536 1.0 W W35 1 0.17050536 0.17050536 1.00000000 1.0