# generated using pymatgen data_Pr6Sc7Al9Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.32884684 _cell_length_b 9.32884610 _cell_length_c 9.32884638 _cell_angle_alpha 59.65034330 _cell_angle_beta 59.65034393 _cell_angle_gamma 59.65034599 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr6Sc7Al9Ir7 _chemical_formula_sum 'Pr6 Sc7 Al9 Ir7' _cell_volume 569.51434323 _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 Pr Pr0 1 0.68908116 0.68908116 0.31324901 1.0 Pr Pr1 1 0.30655221 0.69806835 0.30655221 1.0 Pr Pr2 1 0.69806835 0.30655221 0.30655221 1.0 Pr Pr3 1 0.30655221 0.30655221 0.69806835 1.0 Pr Pr4 1 0.68908116 0.31324901 0.68908116 1.0 Pr Pr5 1 0.31324901 0.68908116 0.68908116 1.0 Sc Sc6 1 0.88204325 0.88204325 0.36230984 1.0 Sc Sc7 1 0.88204325 0.36230984 0.88204325 1.0 Sc Sc8 1 0.36230984 0.88204325 0.88204325 1.0 Sc Sc9 1 0.87772561 0.87772561 0.87772561 1.0 Sc Sc10 1 0.12107228 0.12107228 0.63382707 1.0 Sc Sc11 1 0.12107228 0.63382707 0.12107228 1.0 Sc Sc12 1 0.63382707 0.12107228 0.12107228 1.0 Al Al13 1 0.11867429 0.11867429 0.11867429 1.0 Al Al14 1 0.67195821 0.67195821 0.98534394 1.0 Al Al15 1 0.67195821 0.98534394 0.67195821 1.0 Al Al16 1 0.98534394 0.67195821 0.67195821 1.0 Al Al17 1 0.67227218 0.67227218 0.67227218 1.0 Al Al18 1 0.32300992 0.32300992 0.01788084 1.0 Al Al19 1 0.32300992 0.01788084 0.32300992 1.0 Al Al20 1 0.01788084 0.32300992 0.32300992 1.0 Al Al21 1 0.32772901 0.32772901 0.32772901 1.0 Ir Ir22 1 0.00220763 0.00220763 0.00220763 1.0 Ir Ir23 1 0.00127989 0.00127989 0.49874981 1.0 Ir Ir24 1 0.50072477 0.00051406 0.50072477 1.0 Ir Ir25 1 0.00051406 0.50072477 0.50072477 1.0 Ir Ir26 1 0.50072477 0.50072477 0.00051406 1.0 Ir Ir27 1 0.00127989 0.49874981 0.00127989 1.0 Ir Ir28 1 0.49874981 0.00127989 0.00127989 1.0