# generated using pymatgen data_Sc2Ti2Ge4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91389261 _cell_length_b 6.91389261 _cell_length_c 12.66485059 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ti2Ge4W _chemical_formula_sum 'Sc8 Ti8 Ge16 W4' _cell_volume 605.40406128 _cell_formula_units_Z 4 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 Sc Sc0 1 0.00623948 0.66107536 0.02965160 1.0 Sc Sc1 1 0.99376052 0.33892464 0.52965160 1.0 Sc Sc2 1 0.33892464 0.99376052 0.47034840 1.0 Sc Sc3 1 0.16107536 0.49376052 0.77965160 1.0 Sc Sc4 1 0.83892464 0.50623948 0.27965160 1.0 Sc Sc5 1 0.49376052 0.16107536 0.22034840 1.0 Sc Sc6 1 0.50623948 0.83892464 0.72034840 1.0 Sc Sc7 1 0.66107536 0.00623948 0.97034840 1.0 Ti Ti8 1 0.99169154 0.84500984 0.62680755 1.0 Ti Ti9 1 0.00830846 0.15499016 0.12680755 1.0 Ti Ti10 1 0.84500984 0.99169154 0.37319245 1.0 Ti Ti11 1 0.34500984 0.50830846 0.37680755 1.0 Ti Ti12 1 0.65499016 0.49169154 0.87680755 1.0 Ti Ti13 1 0.50830846 0.34500984 0.62319245 1.0 Ti Ti14 1 0.49169154 0.65499016 0.12319245 1.0 Ti Ti15 1 0.15499016 0.00830846 0.87319245 1.0 Ge Ge16 1 0.03796737 0.70118181 0.43349308 1.0 Ge Ge17 1 0.63269124 0.29915946 0.42395664 1.0 Ge Ge18 1 0.36730876 0.70084054 0.92395664 1.0 Ge Ge19 1 0.20084054 0.13269124 0.67395664 1.0 Ge Ge20 1 0.29915946 0.63269124 0.57604336 1.0 Ge Ge21 1 0.70084054 0.36730876 0.07604336 1.0 Ge Ge22 1 0.79915946 0.86730876 0.17395664 1.0 Ge Ge23 1 0.13269124 0.20084054 0.32604336 1.0 Ge Ge24 1 0.96203263 0.29881819 0.93349308 1.0 Ge Ge25 1 0.70118181 0.03796737 0.56650692 1.0 Ge Ge26 1 0.20118181 0.46203263 0.18349308 1.0 Ge Ge27 1 0.79881819 0.53796737 0.68349308 1.0 Ge Ge28 1 0.46203263 0.20118181 0.81650692 1.0 Ge Ge29 1 0.53796737 0.79881819 0.31650692 1.0 Ge Ge30 1 0.29881819 0.96203263 0.06650692 1.0 Ge Ge31 1 0.86730876 0.79915946 0.82604336 1.0 W W32 1 0.66990757 0.66990757 0.50000000 1.0 W W33 1 0.16990757 0.83009243 0.25000000 1.0 W W34 1 0.33009243 0.33009243 0.00000000 1.0 W W35 1 0.83009243 0.16990757 0.75000000 1.0