# generated using pymatgen data_ScNbNi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18317490 _cell_length_b 5.18317502 _cell_length_c 8.37890738 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001170 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScNbNi6 _chemical_formula_sum 'Sc2 Nb2 Ni12' _cell_volume 194.94392576 _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 0.33333300 0.66666700 0.75000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.25000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb3 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni4 1 0.82518320 0.65036741 0.75000000 1.0 Ni Ni5 1 0.34963259 0.17481680 0.75000000 1.0 Ni Ni6 1 0.82518320 0.17481680 0.75000000 1.0 Ni Ni7 1 0.17481680 0.34963259 0.25000000 1.0 Ni Ni8 1 0.65036741 0.82518320 0.25000000 1.0 Ni Ni9 1 0.17481680 0.82518320 0.25000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni11 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni12 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni13 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni14 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni15 1 0.00000000 0.50000000 0.50000000 1.0