# generated using pymatgen data_Sc6Ni18Ge11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.85343106 _cell_length_b 11.85343106 _cell_length_c 11.85343106 _cell_angle_alpha 139.53360735 _cell_angle_beta 116.27161550 _cell_angle_gamma 78.26334051 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ni18Ge11 _chemical_formula_sum 'Sc12 Ni36 Ge22' _cell_volume 943.45301229 _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 Sc Sc0 1 0.81817300 0.79548600 0.61365900 1.0 Sc Sc1 1 0.80968100 0.30968100 0.50000000 1.0 Sc Sc2 1 0.09812100 0.28090300 0.81721700 1.0 Sc Sc3 1 0.53631400 0.71909700 0.81721700 1.0 Sc Sc4 1 0.46368600 0.28090300 0.18278300 1.0 Sc Sc5 1 0.81817300 0.20451400 0.02268700 1.0 Sc Sc6 1 0.36995500 0.86995500 0.50000000 1.0 Sc Sc7 1 0.63004500 0.13004500 0.50000000 1.0 Sc Sc8 1 0.19031900 0.69031900 0.50000000 1.0 Sc Sc9 1 0.90187900 0.71909700 0.18278300 1.0 Sc Sc10 1 0.18182700 0.79548600 0.97731300 1.0 Sc Sc11 1 0.18182700 0.20451400 0.38634100 1.0 Ni Ni12 1 0.43543600 0.94800400 0.81904900 1.0 Ni Ni13 1 0.73504800 0.80480000 0.36784500 1.0 Ni Ni14 1 0.26495200 0.63279700 0.06975200 1.0 Ni Ni15 1 0.56304500 0.63279700 0.36784500 1.0 Ni Ni16 1 0.43282300 0.43282300 0.00000000 1.0 Ni Ni17 1 0.73504800 0.36720300 0.93024800 1.0 Ni Ni18 1 0.20786400 0.37170300 0.16384000 1.0 Ni Ni19 1 0.75545900 0.42319000 0.33226900 1.0 Ni Ni20 1 0.43695500 0.36720300 0.63215500 1.0 Ni Ni21 1 0.20786400 0.04402400 0.83616000 1.0 Ni Ni22 1 0.90907900 0.57681000 0.33226900 1.0 Ni Ni23 1 0.56456400 0.38361300 0.51256700 1.0 Ni Ni24 1 0.09092100 0.42319000 0.66773100 1.0 Ni Ni25 1 0.07589500 0.34238100 0.26648600 1.0 Ni Ni26 1 0.12895500 0.61638700 0.18095100 1.0 Ni Ni27 1 0.79213600 0.95597600 0.16384000 1.0 Ni Ni28 1 0.43695500 0.80480000 0.06975200 1.0 Ni Ni29 1 0.56304500 0.19520000 0.93024800 1.0 Ni Ni30 1 0.61786100 0.00000000 0.61786100 1.0 Ni Ni31 1 0.24454100 0.57681000 0.66773100 1.0 Ni Ni32 1 0.21345700 0.11392500 0.09953200 1.0 Ni Ni33 1 0.56717700 0.56717700 0.00000000 1.0 Ni Ni34 1 0.79213600 0.62829700 0.83616000 1.0 Ni Ni35 1 0.12895500 0.94800400 0.51256700 1.0 Ni Ni36 1 0.92410500 0.19059100 0.26648600 1.0 Ni Ni37 1 0.38213900 0.00000000 0.38213900 1.0 Ni Ni38 1 0.92410500 0.65761900 0.73351400 1.0 Ni Ni39 1 0.01439300 0.11392500 0.90046800 1.0 Ni Ni40 1 0.98560700 0.88607500 0.09953200 1.0 Ni Ni41 1 0.43543600 0.61638700 0.48743300 1.0 Ni Ni42 1 0.87104500 0.38361300 0.81904900 1.0 Ni Ni43 1 0.78654300 0.88607500 0.90046800 1.0 Ni Ni44 1 0.26495200 0.19520000 0.63215500 1.0 Ni Ni45 1 0.87104500 0.05199600 0.48743300 1.0 Ni Ni46 1 0.07589500 0.80940900 0.73351400 1.0 Ni Ni47 1 0.56456400 0.05199600 0.18095100 1.0 Ge Ge48 1 0.01111600 0.10987700 0.43450000 1.0 Ge Ge49 1 0.32462300 0.42338400 0.43450000 1.0 Ge Ge50 1 0.01111600 0.57661600 0.90123900 1.0 Ge Ge51 1 0.82871900 0.11403800 0.71468100 1.0 Ge Ge52 1 0.67822400 0.50000000 0.17822400 1.0 Ge Ge53 1 0.60064300 0.88596200 0.71468100 1.0 Ge Ge54 1 0.32462300 0.89012300 0.90123900 1.0 Ge Ge55 1 0.50000000 0.76918700 0.26918700 1.0 Ge Ge56 1 0.50000000 0.23081300 0.73081300 1.0 Ge Ge57 1 0.33075600 0.50776300 0.17700700 1.0 Ge Ge58 1 0.33075600 0.15375000 0.82299300 1.0 Ge Ge59 1 0.17128100 0.88596200 0.28531900 1.0 Ge Ge60 1 0.32177600 0.50000000 0.82177600 1.0 Ge Ge61 1 0.67537700 0.10987700 0.09876100 1.0 Ge Ge62 1 0.66924400 0.49223700 0.82299300 1.0 Ge Ge63 1 0.39935700 0.11403800 0.28531900 1.0 Ge Ge64 1 0.98888400 0.42338400 0.09876100 1.0 Ge Ge65 1 0.98888400 0.89012300 0.56550000 1.0 Ge Ge66 1 0.67537700 0.57661600 0.56550000 1.0 Ge Ge67 1 0.00000000 0.00000000 0.00000000 1.0 Ge Ge68 1 0.66924400 0.84625000 0.17700700 1.0 Ge Ge69 1 0.00000000 0.50000000 0.50000000 1.0