# generated using pymatgen data_Sc(SiNi5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.00997849 _cell_length_b 8.00997849 _cell_length_c 4.60104391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc(SiNi5)2 _chemical_formula_sum 'Sc2 Si4 Ni20' _cell_volume 295.20185192 _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 0.00000000 0.50000000 0.22141112 1.0 Sc Sc1 1 0.50000000 0.00000000 0.77858888 1.0 Si Si2 1 0.75000000 0.75000000 0.50000000 1.0 Si Si3 1 0.25000000 0.75000000 0.50000000 1.0 Si Si4 1 0.75000000 0.25000000 0.50000000 1.0 Si Si5 1 0.25000000 0.25000000 0.50000000 1.0 Ni Ni6 1 0.75000000 0.25000000 0.00000000 1.0 Ni Ni7 1 0.75000000 0.75000000 0.00000000 1.0 Ni Ni8 1 0.25000000 0.25000000 0.00000000 1.0 Ni Ni9 1 0.25000000 0.75000000 0.00000000 1.0 Ni Ni10 1 0.35142513 0.50000000 0.23968409 1.0 Ni Ni11 1 0.00000000 0.14857487 0.23968409 1.0 Ni Ni12 1 0.00000000 0.85142513 0.23968409 1.0 Ni Ni13 1 0.64857487 0.50000000 0.23968409 1.0 Ni Ni14 1 0.14857487 0.00000000 0.76031591 1.0 Ni Ni15 1 0.85142513 0.00000000 0.76031591 1.0 Ni Ni16 1 0.50000000 0.35142513 0.76031591 1.0 Ni Ni17 1 0.50000000 0.64857487 0.76031591 1.0 Ni Ni18 1 0.78069730 0.50000000 0.72998765 1.0 Ni Ni19 1 0.00000000 0.71930270 0.72998765 1.0 Ni Ni20 1 0.00000000 0.28069730 0.72998765 1.0 Ni Ni21 1 0.21930270 0.50000000 0.72998765 1.0 Ni Ni22 1 0.71930270 0.00000000 0.27001235 1.0 Ni Ni23 1 0.28069730 0.00000000 0.27001235 1.0 Ni Ni24 1 0.50000000 0.78069730 0.27001235 1.0 Ni Ni25 1 0.50000000 0.21930270 0.27001235 1.0