# generated using pymatgen data_Tm8Ti11ReSi16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95710776 _cell_length_b 6.95710769 _cell_length_c 12.78692190 _cell_angle_alpha 90.05089622 _cell_angle_beta 90.05089371 _cell_angle_gamma 89.98910387 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm8Ti11ReSi16 _chemical_formula_sum 'Tm8 Ti11 Re1 Si16' _cell_volume 618.90375557 _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 0.99814920 0.66075739 0.03191358 1.0 Tm Tm1 1 0.99891052 0.33987307 0.53542366 1.0 Tm Tm2 1 0.33924261 0.00185080 0.46808642 1.0 Tm Tm3 1 0.15801939 0.49978446 0.78205911 1.0 Tm Tm4 1 0.84013323 0.49746978 0.28307573 1.0 Tm Tm5 1 0.50253022 0.15986677 0.21692427 1.0 Tm Tm6 1 0.50021554 0.84198061 0.71794089 1.0 Tm Tm7 1 0.66012693 0.00108948 0.96457634 1.0 Ti Ti8 1 0.67273765 0.67203677 0.50172368 1.0 Ti Ti9 1 0.17232621 0.82767379 0.25000000 1.0 Ti Ti10 1 0.32796323 0.32726235 0.99827632 1.0 Ti Ti11 1 0.99187322 0.84664928 0.62584493 1.0 Ti Ti12 1 0.00673066 0.14974163 0.12242735 1.0 Ti Ti13 1 0.85025837 0.99326934 0.37757265 1.0 Ti Ti14 1 0.34849387 0.50706791 0.37373609 1.0 Ti Ti15 1 0.65336786 0.49338082 0.87326739 1.0 Ti Ti16 1 0.50661918 0.34663214 0.62673261 1.0 Ti Ti17 1 0.49293209 0.65150613 0.12626391 1.0 Ti Ti18 1 0.15335072 0.00812678 0.87415507 1.0 Re Re19 1 0.82680262 0.17319738 0.75000000 1.0 Si Si20 1 0.04669906 0.70633368 0.43571636 1.0 Si Si21 1 0.63222615 0.29664997 0.43428698 1.0 Si Si22 1 0.36835483 0.70395272 0.93291458 1.0 Si Si23 1 0.20079341 0.13011340 0.68296484 1.0 Si Si24 1 0.29604728 0.63164517 0.56708542 1.0 Si Si25 1 0.70335003 0.36777385 0.06571302 1.0 Si Si26 1 0.79683899 0.86735997 0.18364965 1.0 Si Si27 1 0.13264003 0.20316101 0.31635035 1.0 Si Si28 1 0.95172937 0.29254174 0.93304869 1.0 Si Si29 1 0.70745826 0.04827063 0.56695131 1.0 Si Si30 1 0.20711765 0.45254394 0.18483247 1.0 Si Si31 1 0.79031227 0.54535563 0.68602163 1.0 Si Si32 1 0.45464437 0.20968773 0.81397837 1.0 Si Si33 1 0.54745606 0.79288235 0.31516753 1.0 Si Si34 1 0.29366632 0.95330094 0.06428364 1.0 Si Si35 1 0.86988660 0.79920659 0.81703516 1.0