# generated using pymatgen data_Pa2Al9MoIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55127185 _cell_length_b 7.55127369 _cell_length_c 9.29730611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.96245023 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2Al9MoIr2 _chemical_formula_sum 'Pa4 Al18 Mo2 Ir4' _cell_volume 472.52330854 _cell_formula_units_Z 2 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 Pa Pa0 1 0.99481992 0.70613921 0.25000000 1.0 Pa Pa1 1 0.00518008 0.29386079 0.75000000 1.0 Pa Pa2 1 0.70613921 0.99481992 0.25000000 1.0 Pa Pa3 1 0.29386079 0.00518008 0.75000000 1.0 Al Al4 1 0.15689530 0.15689530 0.25000000 1.0 Al Al5 1 0.84310470 0.84310470 0.75000000 1.0 Al Al6 1 0.01043280 0.35450487 0.08370014 1.0 Al Al7 1 0.98956720 0.64549513 0.91629986 1.0 Al Al8 1 0.98956720 0.64549513 0.58370014 1.0 Al Al9 1 0.35450487 0.01043280 0.41629986 1.0 Al Al10 1 0.01043280 0.35450487 0.41629986 1.0 Al Al11 1 0.64549513 0.98956720 0.58370014 1.0 Al Al12 1 0.64549513 0.98956720 0.91629986 1.0 Al Al13 1 0.35450487 0.01043280 0.08370014 1.0 Al Al14 1 0.33666988 0.33666988 0.53513151 1.0 Al Al15 1 0.66333012 0.66333012 0.46486849 1.0 Al Al16 1 0.66333012 0.66333012 0.03513151 1.0 Al Al17 1 0.33666988 0.33666988 0.96486849 1.0 Al Al18 1 0.35251203 0.56768742 0.25000000 1.0 Al Al19 1 0.64748797 0.43231258 0.75000000 1.0 Al Al20 1 0.56768742 0.35251203 0.25000000 1.0 Al Al21 1 0.43231258 0.64748797 0.75000000 1.0 Mo Mo22 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.67466710 0.32533290 0.00000000 1.0 Ir Ir25 1 0.32533290 0.67466710 0.00000000 1.0 Ir Ir26 1 0.32533290 0.67466710 0.50000000 1.0 Ir Ir27 1 0.67466710 0.32533290 0.50000000 1.0