# generated using pymatgen data_Sc2Al(Ni10B3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42054086 _cell_length_b 7.42054164 _cell_length_c 7.42054146 _cell_angle_alpha 60.00000081 _cell_angle_beta 59.99999735 _cell_angle_gamma 59.99999917 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al(Ni10B3)2 _chemical_formula_sum 'Sc2 Al1 Ni20 B6' _cell_volume 288.92941392 _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 0.75000000 0.75000000 0.75000000 1.0 Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0 Al Al2 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni3 1 0.61457392 0.61457392 0.15627823 1.0 Ni Ni4 1 0.61457392 0.15627823 0.61457392 1.0 Ni Ni5 1 0.15627823 0.61457392 0.61457392 1.0 Ni Ni6 1 0.61457392 0.61457392 0.61457392 1.0 Ni Ni7 1 0.38542608 0.38542608 0.84372177 1.0 Ni Ni8 1 0.38542608 0.84372177 0.38542608 1.0 Ni Ni9 1 0.84372177 0.38542608 0.38542608 1.0 Ni Ni10 1 0.38542608 0.38542608 0.38542608 1.0 Ni Ni11 1 0.00000000 0.00000000 0.33877742 1.0 Ni Ni12 1 0.66122258 1.00000000 0.33877742 1.0 Ni Ni13 1 0.00000000 0.66122258 0.33877742 1.0 Ni Ni14 1 0.66122258 0.33877742 1.00000000 1.0 Ni Ni15 1 1.00000000 0.33877742 1.00000000 1.0 Ni Ni16 1 1.00000000 0.33877742 0.66122258 1.0 Ni Ni17 1 0.33877742 0.66122258 0.00000000 1.0 Ni Ni18 1 0.33877742 0.00000000 0.66122258 1.0 Ni Ni19 1 0.33877742 0.00000000 0.00000000 1.0 Ni Ni20 1 0.00000000 0.00000000 0.66122258 1.0 Ni Ni21 1 0.00000000 0.66122258 0.00000000 1.0 Ni Ni22 1 0.66122258 1.00000000 1.00000000 1.0 B B23 1 0.72879694 0.72879694 0.27120306 1.0 B B24 1 0.27120306 0.72879694 0.27120306 1.0 B B25 1 0.72879694 0.27120306 0.27120306 1.0 B B26 1 0.27120306 0.27120306 0.72879694 1.0 B B27 1 0.72879694 0.27120306 0.72879694 1.0 B B28 1 0.27120306 0.72879694 0.72879694 1.0