# generated using pymatgen data_Sc6Al16Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53691573 _cell_length_b 8.53691573 _cell_length_c 8.53691573 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Al16Ni7 _chemical_formula_sum 'Sc6 Al16 Ni7' _cell_volume 439.93446325 _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 0.69585900 0.69585900 0.30414100 1.0 Sc Sc1 1 0.30414100 0.69585900 0.30414100 1.0 Sc Sc2 1 0.69585900 0.30414100 0.30414100 1.0 Sc Sc3 1 0.30414100 0.30414100 0.69585900 1.0 Sc Sc4 1 0.69585900 0.30414100 0.69585900 1.0 Sc Sc5 1 0.30414100 0.69585900 0.69585900 1.0 Al Al6 1 0.88059500 0.88059500 0.35821600 1.0 Al Al7 1 0.88059500 0.35821600 0.88059500 1.0 Al Al8 1 0.35821600 0.88059500 0.88059500 1.0 Al Al9 1 0.88059500 0.88059500 0.88059500 1.0 Al Al10 1 0.11940500 0.11940500 0.64178400 1.0 Al Al11 1 0.11940500 0.64178400 0.11940500 1.0 Al Al12 1 0.64178400 0.11940500 0.11940500 1.0 Al Al13 1 0.11940500 0.11940500 0.11940500 1.0 Al Al14 1 0.66636100 0.66636100 0.00091700 1.0 Al Al15 1 0.66636100 0.00091700 0.66636100 1.0 Al Al16 1 0.00091700 0.66636100 0.66636100 1.0 Al Al17 1 0.66636100 0.66636100 0.66636100 1.0 Al Al18 1 0.33363900 0.33363900 0.99908300 1.0 Al Al19 1 0.33363900 0.99908300 0.33363900 1.0 Al Al20 1 0.99908300 0.33363900 0.33363900 1.0 Al Al21 1 0.33363900 0.33363900 0.33363900 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni24 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni25 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni26 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni27 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni28 1 0.50000000 0.00000000 0.00000000 1.0