# generated using pymatgen data_Zr6Sc7Al9Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.03903986 _cell_length_b 9.03903926 _cell_length_c 9.03903929 _cell_angle_alpha 59.50437461 _cell_angle_beta 59.50437930 _cell_angle_gamma 59.50437896 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Sc7Al9Ir7 _chemical_formula_sum 'Zr6 Sc7 Al9 Ir7' _cell_volume 516.33184403 _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 0.67720038 0.67720038 0.32502393 1.0 Zr Zr1 1 0.31835247 0.68743968 0.31835247 1.0 Zr Zr2 1 0.68743968 0.31835247 0.31835247 1.0 Zr Zr3 1 0.31835247 0.31835247 0.68743968 1.0 Zr Zr4 1 0.67720038 0.32502393 0.67720038 1.0 Zr Zr5 1 0.32502393 0.67720038 0.67720038 1.0 Sc Sc6 1 0.88025633 0.88025633 0.36533012 1.0 Sc Sc7 1 0.88025633 0.36533012 0.88025633 1.0 Sc Sc8 1 0.36533012 0.88025633 0.88025633 1.0 Sc Sc9 1 0.87706206 0.87706206 0.87706206 1.0 Sc Sc10 1 0.12185694 0.12185694 0.63188378 1.0 Sc Sc11 1 0.12185694 0.63188378 0.12185694 1.0 Sc Sc12 1 0.63188378 0.12185694 0.12185694 1.0 Al Al13 1 0.12054578 0.12054578 0.12054578 1.0 Al Al14 1 0.66164675 0.66164675 0.01541579 1.0 Al Al15 1 0.66164675 0.01541579 0.66164675 1.0 Al Al16 1 0.01541579 0.66164675 0.66164675 1.0 Al Al17 1 0.66259642 0.66259642 0.66259642 1.0 Al Al18 1 0.33297373 0.33297373 0.99047090 1.0 Al Al19 1 0.33297373 0.99047090 0.33297373 1.0 Al Al20 1 0.99047090 0.33297373 0.33297373 1.0 Al Al21 1 0.34058760 0.34058760 0.34058760 1.0 Ir Ir22 1 0.00220234 0.00220234 0.00220234 1.0 Ir Ir23 1 0.00048682 0.00048682 0.49727202 1.0 Ir Ir24 1 0.49980901 0.99900071 0.49980901 1.0 Ir Ir25 1 0.99900071 0.49980901 0.49980901 1.0 Ir Ir26 1 0.49980901 0.49980901 0.99900071 1.0 Ir Ir27 1 0.00048682 0.49727202 0.00048682 1.0 Ir Ir28 1 0.49727202 0.00048682 0.00048682 1.0