# generated using pymatgen data_Sc2Nb(Ni10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45558976 _cell_length_b 7.45558935 _cell_length_c 7.45558884 _cell_angle_alpha 59.99999795 _cell_angle_beta 59.99999974 _cell_angle_gamma 59.99999803 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Nb(Ni10B3)2 _chemical_formula_sum 'Sc2 Nb1 Ni20 B6' _cell_volume 293.04270874 _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 Sc Sc0 1 0.25000000 0.25000000 0.25000000 1.0 Sc Sc1 1 0.75000000 0.75000000 0.75000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.38570888 0.38570888 0.38570888 1.0 Ni Ni4 1 0.61429112 0.61429112 0.61429112 1.0 Ni Ni5 1 0.38570888 0.38570888 0.84287235 1.0 Ni Ni6 1 0.38570888 0.84287235 0.38570888 1.0 Ni Ni7 1 0.61429112 0.61429112 0.15712765 1.0 Ni Ni8 1 0.61429112 0.15712765 0.61429112 1.0 Ni Ni9 1 0.84287235 0.38570888 0.38570888 1.0 Ni Ni10 1 0.15712765 0.61429112 0.61429112 1.0 Ni Ni11 1 0.34246367 0.00000000 0.00000000 1.0 Ni Ni12 1 0.65753633 0.00000000 1.00000000 1.0 Ni Ni13 1 0.00000000 0.34246367 0.65753633 1.0 Ni Ni14 1 0.00000000 0.65753633 0.34246367 1.0 Ni Ni15 1 1.00000000 0.34246367 0.00000000 1.0 Ni Ni16 1 0.65753633 0.00000000 0.34246367 1.0 Ni Ni17 1 0.00000000 0.65753633 0.00000000 1.0 Ni Ni18 1 0.34246367 0.00000000 0.65753633 1.0 Ni Ni19 1 1.00000000 1.00000000 0.34246367 1.0 Ni Ni20 1 0.00000000 0.00000000 0.65753633 1.0 Ni Ni21 1 0.65753633 0.34246367 0.00000000 1.0 Ni Ni22 1 0.34246367 0.65753633 0.00000000 1.0 B B23 1 0.73119724 0.26880276 0.26880276 1.0 B B24 1 0.26880276 0.73119724 0.73119724 1.0 B B25 1 0.26880276 0.73119724 0.26880276 1.0 B B26 1 0.73119724 0.26880276 0.73119724 1.0 B B27 1 0.26880276 0.26880276 0.73119724 1.0 B B28 1 0.73119724 0.73119724 0.26880276 1.0