# generated using pymatgen data_Sc6Ta4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.80691013 _cell_length_b 8.80690986 _cell_length_c 8.80691072 _cell_angle_alpha 59.99999678 _cell_angle_beta 59.99999779 _cell_angle_gamma 59.99999965 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ta4Al12Ir7 _chemical_formula_sum 'Sc6 Ta4 Al12 Ir7' _cell_volume 483.00952210 _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 0.69567600 0.69567600 0.30432400 1.0 Sc Sc1 1 0.30432400 0.69567600 0.30432400 1.0 Sc Sc2 1 0.69567600 0.30432400 0.30432400 1.0 Sc Sc3 1 0.30432400 0.30432400 0.69567600 1.0 Sc Sc4 1 0.69567600 0.30432400 0.69567600 1.0 Sc Sc5 1 0.30432400 0.69567600 0.69567600 1.0 Ta Ta6 1 0.87864879 0.87864879 0.36405363 1.0 Ta Ta7 1 0.87864879 0.36405363 0.87864879 1.0 Ta Ta8 1 0.36405363 0.87864879 0.87864879 1.0 Ta Ta9 1 0.87864879 0.87864879 0.87864879 1.0 Al Al10 1 0.12113595 0.12113595 0.63659414 1.0 Al Al11 1 0.12113595 0.63659414 0.12113595 1.0 Al Al12 1 0.63659414 0.12113595 0.12113595 1.0 Al Al13 1 0.12113595 0.12113595 0.12113595 1.0 Al Al14 1 0.65494129 0.65494129 0.03517612 1.0 Al Al15 1 0.65494129 0.03517612 0.65494129 1.0 Al Al16 1 0.03517612 0.65494129 0.65494129 1.0 Al Al17 1 0.65494129 0.65494129 0.65494129 1.0 Al Al18 1 0.33172550 0.33172550 0.00482550 1.0 Al Al19 1 0.33172550 0.00482550 0.33172550 1.0 Al Al20 1 0.00482550 0.33172550 0.33172550 1.0 Al Al21 1 0.33172550 0.33172550 0.33172550 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.99624578 0.99624578 0.50375422 1.0 Ir Ir24 1 0.50375422 0.99624578 0.50375422 1.0 Ir Ir25 1 0.99624578 0.50375422 0.50375422 1.0 Ir Ir26 1 0.50375422 0.50375422 0.99624578 1.0 Ir Ir27 1 0.99624578 0.50375422 0.99624578 1.0 Ir Ir28 1 0.50375422 0.99624578 0.99624578 1.0