# generated using pymatgen data_Zr6Sc4Al12Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69210245 _cell_length_b 8.69210193 _cell_length_c 8.69210067 _cell_angle_alpha 60.00000103 _cell_angle_beta 60.00000301 _cell_angle_gamma 60.00000003 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Sc4Al12Ni7 _chemical_formula_sum 'Zr6 Sc4 Al12 Ni7' _cell_volume 464.36492688 _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 Zr Zr0 1 0.68682804 0.68682804 0.31317196 1.0 Zr Zr1 1 0.31317196 0.68682804 0.31317196 1.0 Zr Zr2 1 0.68682804 0.31317196 0.31317196 1.0 Zr Zr3 1 0.31317196 0.31317196 0.68682804 1.0 Zr Zr4 1 0.68682804 0.31317196 0.68682804 1.0 Zr Zr5 1 0.31317196 0.68682804 0.68682804 1.0 Sc Sc6 1 0.88309905 0.88309905 0.35070185 1.0 Sc Sc7 1 0.88309905 0.35070185 0.88309905 1.0 Sc Sc8 1 0.35070185 0.88309905 0.88309905 1.0 Sc Sc9 1 0.88309905 0.88309905 0.88309905 1.0 Al Al10 1 0.12175589 0.12175589 0.63473234 1.0 Al Al11 1 0.12175589 0.63473234 0.12175589 1.0 Al Al12 1 0.63473234 0.12175589 0.12175589 1.0 Al Al13 1 0.12175589 0.12175589 0.12175589 1.0 Al Al14 1 0.66579120 0.66579120 0.00262640 1.0 Al Al15 1 0.66579120 0.00262640 0.66579120 1.0 Al Al16 1 0.00262640 0.66579120 0.66579120 1.0 Al Al17 1 0.66579120 0.66579120 0.66579120 1.0 Al Al18 1 0.33326527 0.33326527 0.00020419 1.0 Al Al19 1 0.33326527 0.00020419 0.33326527 1.0 Al Al20 1 0.00020419 0.33326527 0.33326527 1.0 Al Al21 1 0.33326527 0.33326527 0.33326527 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni23 1 0.00048798 0.00048798 0.49951202 1.0 Ni Ni24 1 0.49951202 0.00048798 0.49951202 1.0 Ni Ni25 1 0.00048798 0.49951202 0.49951202 1.0 Ni Ni26 1 0.49951202 0.49951202 0.00048798 1.0 Ni Ni27 1 0.00048798 0.49951202 0.00048798 1.0 Ni Ni28 1 0.49951202 0.00048798 0.00048798 1.0