# generated using pymatgen data_Zr6Sc4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86509576 _cell_length_b 8.86509637 _cell_length_c 8.86509594 _cell_angle_alpha 59.99999791 _cell_angle_beta 59.99999566 _cell_angle_gamma 60.00000147 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Sc4Al12Ir7 _chemical_formula_sum 'Zr6 Sc4 Al12 Ir7' _cell_volume 492.64640561 _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 0.68354885 0.68354885 0.31645115 1.0 Zr Zr1 1 0.31645115 0.68354885 0.31645115 1.0 Zr Zr2 1 0.68354885 0.31645115 0.31645115 1.0 Zr Zr3 1 0.31645115 0.31645115 0.68354885 1.0 Zr Zr4 1 0.68354885 0.31645115 0.68354885 1.0 Zr Zr5 1 0.31645115 0.68354885 0.68354885 1.0 Sc Sc6 1 0.88015136 0.88015136 0.35954593 1.0 Sc Sc7 1 0.88015136 0.35954593 0.88015136 1.0 Sc Sc8 1 0.35954593 0.88015136 0.88015136 1.0 Sc Sc9 1 0.88015136 0.88015136 0.88015136 1.0 Al Al10 1 0.12200415 0.12200415 0.63398756 1.0 Al Al11 1 0.12200415 0.63398756 0.12200415 1.0 Al Al12 1 0.63398756 0.12200415 0.12200415 1.0 Al Al13 1 0.12200415 0.12200415 0.12200415 1.0 Al Al14 1 0.66233375 0.66233375 0.01299876 1.0 Al Al15 1 0.66233375 0.01299876 0.66233375 1.0 Al Al16 1 0.01299876 0.66233375 0.66233375 1.0 Al Al17 1 0.66233375 0.66233375 0.66233375 1.0 Al Al18 1 0.33608853 0.33608853 0.99173442 1.0 Al Al19 1 0.33608853 0.99173442 0.33608853 1.0 Al Al20 1 0.99173442 0.33608853 0.33608853 1.0 Al Al21 1 0.33608853 0.33608853 0.33608853 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00142826 0.00142826 0.49857174 1.0 Ir Ir24 1 0.49857174 0.00142826 0.49857174 1.0 Ir Ir25 1 0.00142826 0.49857174 0.49857174 1.0 Ir Ir26 1 0.49857174 0.49857174 0.00142826 1.0 Ir Ir27 1 0.00142826 0.49857174 0.00142826 1.0 Ir Ir28 1 0.49857174 0.00142826 0.00142826 1.0