# generated using pymatgen data_Tm4Ti3Nb3Si8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00170558 _cell_length_b 7.00180806 _cell_length_c 12.89338004 _cell_angle_alpha 90.05635560 _cell_angle_beta 89.96788705 _cell_angle_gamma 90.00527119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Ti3Nb3Si8 _chemical_formula_sum 'Tm8 Ti6 Nb6 Si16' _cell_volume 632.09237262 _cell_formula_units_Z 2 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 0.34138771 0.99904587 0.46635798 1.0 Tm Tm1 1 0.50017476 0.84128913 0.71636969 1.0 Tm Tm2 1 0.49952887 0.15727879 0.21664746 1.0 Tm Tm3 1 0.84040311 0.50132011 0.28362167 1.0 Tm Tm4 1 0.15904947 0.49961914 0.78313630 1.0 Tm Tm5 1 0.65774802 0.99990522 0.96648722 1.0 Tm Tm6 1 0.99896635 0.34155716 0.53345179 1.0 Tm Tm7 1 0.00057878 0.66042297 0.03337335 1.0 Ti Ti8 1 0.50917330 0.34800637 0.62484654 1.0 Ti Ti9 1 0.65248501 0.49054922 0.87522146 1.0 Ti Ti10 1 0.34831892 0.50876650 0.37541048 1.0 Ti Ti11 1 0.84778417 0.99048145 0.37490768 1.0 Ti Ti12 1 0.00909148 0.15176802 0.12501757 1.0 Ti Ti13 1 0.99142164 0.84770671 0.62592943 1.0 Nb Nb14 1 0.32782220 0.32747633 0.99996006 1.0 Nb Nb15 1 0.17252968 0.82755574 0.25032687 1.0 Nb Nb16 1 0.82824875 0.17200178 0.74970786 1.0 Nb Nb17 1 0.67201297 0.67150161 0.49998307 1.0 Nb Nb18 1 0.15219657 0.00820130 0.87441470 1.0 Nb Nb19 1 0.49122039 0.65268491 0.12454051 1.0 Si Si20 1 0.20600047 0.13323057 0.68122535 1.0 Si Si21 1 0.36799543 0.70429192 0.93159492 1.0 Si Si22 1 0.63160871 0.29562069 0.43288328 1.0 Si Si23 1 0.70554643 0.36508619 0.06770589 1.0 Si Si24 1 0.29566634 0.63193998 0.56687573 1.0 Si Si25 1 0.79700460 0.86935349 0.18333698 1.0 Si Si26 1 0.13176399 0.20419873 0.31765360 1.0 Si Si27 1 0.86487452 0.79418435 0.81701796 1.0 Si Si28 1 0.29333767 0.95427628 0.06330144 1.0 Si Si29 1 0.54731092 0.79419953 0.31395485 1.0 Si Si30 1 0.45434878 0.20839522 0.81160659 1.0 Si Si31 1 0.79329503 0.54691264 0.68720161 1.0 Si Si32 1 0.20460352 0.45153249 0.18806225 1.0 Si Si33 1 0.70764063 0.04658759 0.56242084 1.0 Si Si34 1 0.95187204 0.29585433 0.93755777 1.0 Si Si35 1 0.04699177 0.70719765 0.43789026 1.0