# generated using pymatgen data_Sc(NiGe)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21227785 _cell_length_b 10.21227785 _cell_length_c 7.82557300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999900 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(NiGe)6 _chemical_formula_sum 'Sc4 Ni24 Ge24' _cell_volume 706.79265462 _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 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.50000000 0.00000000 0.50000000 1.0 Sc Sc2 1 0.50000000 0.50000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni4 1 0.24969700 0.00000000 0.25270700 1.0 Ni Ni5 1 0.24969700 0.24969700 0.25270700 1.0 Ni Ni6 1 0.00000000 0.75030300 0.25270700 1.0 Ni Ni7 1 0.00000000 0.24969700 0.25270700 1.0 Ni Ni8 1 0.75030300 0.75030300 0.25270700 1.0 Ni Ni9 1 0.24969700 0.00000000 0.74729300 1.0 Ni Ni10 1 0.75030300 0.75030300 0.74729300 1.0 Ni Ni11 1 0.75030300 0.00000000 0.25270700 1.0 Ni Ni12 1 0.00000000 0.24969700 0.74729300 1.0 Ni Ni13 1 0.00000000 0.75030300 0.74729300 1.0 Ni Ni14 1 0.75030300 0.00000000 0.74729300 1.0 Ni Ni15 1 0.24969700 0.24969700 0.74729300 1.0 Ni Ni16 1 0.24994200 0.49988400 0.24824700 1.0 Ni Ni17 1 0.75005800 0.24994200 0.24824700 1.0 Ni Ni18 1 0.49988400 0.24994200 0.24824700 1.0 Ni Ni19 1 0.50011600 0.75005800 0.24824700 1.0 Ni Ni20 1 0.24994200 0.75005800 0.24824700 1.0 Ni Ni21 1 0.75005800 0.50011600 0.75175300 1.0 Ni Ni22 1 0.75005800 0.24994200 0.75175300 1.0 Ni Ni23 1 0.75005800 0.50011600 0.24824700 1.0 Ni Ni24 1 0.49988400 0.24994200 0.75175300 1.0 Ni Ni25 1 0.50011600 0.75005800 0.75175300 1.0 Ni Ni26 1 0.24994200 0.49988400 0.75175300 1.0 Ni Ni27 1 0.24994200 0.75005800 0.75175300 1.0 Ge Ge28 1 0.16614000 0.33227900 0.00000000 1.0 Ge Ge29 1 0.83386000 0.16614000 0.00000000 1.0 Ge Ge30 1 0.33227900 0.16614000 0.00000000 1.0 Ge Ge31 1 0.66772100 0.83386000 0.00000000 1.0 Ge Ge32 1 0.16614000 0.83386000 0.00000000 1.0 Ge Ge33 1 0.83386000 0.66772100 0.00000000 1.0 Ge Ge34 1 0.16772000 0.33544000 0.50000000 1.0 Ge Ge35 1 0.83228000 0.16772000 0.50000000 1.0 Ge Ge36 1 0.33544000 0.16772000 0.50000000 1.0 Ge Ge37 1 0.66456000 0.83228000 0.50000000 1.0 Ge Ge38 1 0.16772000 0.83228000 0.50000000 1.0 Ge Ge39 1 0.83228000 0.66456000 0.50000000 1.0 Ge Ge40 1 0.33333300 0.66666700 0.00000000 1.0 Ge Ge41 1 0.66666700 0.33333300 0.00000000 1.0 Ge Ge42 1 0.33333300 0.66666700 0.50000000 1.0 Ge Ge43 1 0.66666700 0.33333300 0.50000000 1.0 Ge Ge44 1 0.00000000 0.00000000 0.34205200 1.0 Ge Ge45 1 0.00000000 0.00000000 0.65794800 1.0 Ge Ge46 1 0.50000000 0.00000000 0.15961800 1.0 Ge Ge47 1 0.50000000 0.50000000 0.15961800 1.0 Ge Ge48 1 0.00000000 0.50000000 0.15961800 1.0 Ge Ge49 1 0.50000000 0.00000000 0.84038200 1.0 Ge Ge50 1 0.50000000 0.50000000 0.84038200 1.0 Ge Ge51 1 0.00000000 0.50000000 0.84038200 1.0