# generated using pymatgen data_Er6Sc4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.02676541 _cell_length_b 9.02676666 _cell_length_c 9.02676553 _cell_angle_alpha 59.99999692 _cell_angle_beta 59.99999233 _cell_angle_gamma 59.99999948 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er6Sc4Al12Ir7 _chemical_formula_sum 'Er6 Sc4 Al12 Ir7' _cell_volume 520.09358801 _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 Er Er0 1 0.70446082 0.70446082 0.29553918 1.0 Er Er1 1 0.29553918 0.70446082 0.29553918 1.0 Er Er2 1 0.70446082 0.29553918 0.29553918 1.0 Er Er3 1 0.29553918 0.29553918 0.70446082 1.0 Er Er4 1 0.70446082 0.29553918 0.70446082 1.0 Er Er5 1 0.29553918 0.70446082 0.70446082 1.0 Sc Sc6 1 0.88111853 0.88111853 0.35664342 1.0 Sc Sc7 1 0.88111853 0.35664342 0.88111853 1.0 Sc Sc8 1 0.35664342 0.88111853 0.88111853 1.0 Sc Sc9 1 0.88111853 0.88111853 0.88111853 1.0 Al Al10 1 0.12051060 0.12051060 0.63846720 1.0 Al Al11 1 0.12051060 0.63846720 0.12051060 1.0 Al Al12 1 0.63846720 0.12051060 0.12051060 1.0 Al Al13 1 0.12051060 0.12051060 0.12051060 1.0 Al Al14 1 0.66912621 0.66912621 0.99262036 1.0 Al Al15 1 0.66912621 0.99262036 0.66912621 1.0 Al Al16 1 0.99262036 0.66912621 0.66912621 1.0 Al Al17 1 0.66912621 0.66912621 0.66912621 1.0 Al Al18 1 0.32949707 0.32949707 0.01150779 1.0 Al Al19 1 0.32949707 0.01150779 0.32949707 1.0 Al Al20 1 0.01150779 0.32949707 0.32949707 1.0 Al Al21 1 0.32949707 0.32949707 0.32949707 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00193301 0.00193301 0.49806699 1.0 Ir Ir24 1 0.49806699 0.00193301 0.49806699 1.0 Ir Ir25 1 0.00193301 0.49806699 0.49806699 1.0 Ir Ir26 1 0.49806699 0.49806699 0.00193301 1.0 Ir Ir27 1 0.00193301 0.49806699 0.00193301 1.0 Ir Ir28 1 0.49806699 0.00193301 0.00193301 1.0