# generated using pymatgen data_ZrSc(SiNi5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00784381 _cell_length_b 8.00784381 _cell_length_c 4.60183567 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(SiNi5)4 _chemical_formula_sum 'Zr1 Sc1 Si4 Ni20' _cell_volume 295.09530098 _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 Zr Zr0 1 0.50000000 0.00000000 0.78214952 1.0 Sc Sc1 1 0.00000000 0.50000000 0.22152220 1.0 Si Si2 1 0.75046600 0.74953400 0.49885078 1.0 Si Si3 1 0.24953400 0.74953400 0.49885078 1.0 Si Si4 1 0.75046600 0.25046600 0.49885078 1.0 Si Si5 1 0.24953400 0.25046600 0.49885078 1.0 Ni Ni6 1 0.74983401 0.24983401 0.99926224 1.0 Ni Ni7 1 0.74983401 0.75016599 0.99926224 1.0 Ni Ni8 1 0.25016599 0.24983401 0.99926224 1.0 Ni Ni9 1 0.25016599 0.75016599 0.99926224 1.0 Ni Ni10 1 0.35119560 0.50000000 0.24041789 1.0 Ni Ni11 1 0.00000000 0.14880440 0.24041789 1.0 Ni Ni12 1 0.00000000 0.85119560 0.24041789 1.0 Ni Ni13 1 0.64880440 0.50000000 0.24041789 1.0 Ni Ni14 1 0.14906314 0.00000000 0.75981734 1.0 Ni Ni15 1 0.85093686 0.00000000 0.75981734 1.0 Ni Ni16 1 0.50000000 0.35093686 0.75981734 1.0 Ni Ni17 1 0.50000000 0.64906314 0.75981734 1.0 Ni Ni18 1 0.78060229 0.50000000 0.73108480 1.0 Ni Ni19 1 0.00000000 0.71939771 0.73108480 1.0 Ni Ni20 1 0.00000000 0.28060229 0.73108480 1.0 Ni Ni21 1 0.21939771 0.50000000 0.73108480 1.0 Ni Ni22 1 0.71816753 0.00000000 0.26965077 1.0 Ni Ni23 1 0.28183247 0.00000000 0.26965077 1.0 Ni Ni24 1 0.50000000 0.78183247 0.26965077 1.0 Ni Ni25 1 0.50000000 0.21816753 0.26965077 1.0