# generated using pymatgen data_Pr3Al12TcIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89617785 _cell_length_b 8.89617747 _cell_length_c 9.64631074 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3Al12TcIr3 _chemical_formula_sum 'Pr6 Al24 Tc2 Ir6' _cell_volume 661.14812169 _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 Pr Pr0 1 0.19042809 0.38085519 0.25000000 1.0 Pr Pr1 1 0.80957191 0.61914481 0.75000000 1.0 Pr Pr2 1 0.61914481 0.80957191 0.25000000 1.0 Pr Pr3 1 0.38085519 0.19042809 0.75000000 1.0 Pr Pr4 1 0.19042809 0.80957191 0.25000000 1.0 Pr Pr5 1 0.80957191 0.19042809 0.75000000 1.0 Al Al6 1 0.33333300 0.66666700 0.01388503 1.0 Al Al7 1 0.66666700 0.33333300 0.98611497 1.0 Al Al8 1 0.66666700 0.33333300 0.51388503 1.0 Al Al9 1 0.33333300 0.66666700 0.48611497 1.0 Al Al10 1 0.16365921 0.32731742 0.57459367 1.0 Al Al11 1 0.83634079 0.67268258 0.42540633 1.0 Al Al12 1 0.67268258 0.83634079 0.57459367 1.0 Al Al13 1 0.83634079 0.67268258 0.07459367 1.0 Al Al14 1 0.32731742 0.16365921 0.42540633 1.0 Al Al15 1 0.16365921 0.32731742 0.92540633 1.0 Al Al16 1 0.16365921 0.83634079 0.57459367 1.0 Al Al17 1 0.32731742 0.16365921 0.07459367 1.0 Al Al18 1 0.83634079 0.16365921 0.42540633 1.0 Al Al19 1 0.67268258 0.83634079 0.92540633 1.0 Al Al20 1 0.83634079 0.16365921 0.07459367 1.0 Al Al21 1 0.16365921 0.83634079 0.92540633 1.0 Al Al22 1 0.56397896 0.12795693 0.25000000 1.0 Al Al23 1 0.43602104 0.87204307 0.75000000 1.0 Al Al24 1 0.87204307 0.43602104 0.25000000 1.0 Al Al25 1 0.12795693 0.56397896 0.75000000 1.0 Al Al26 1 0.56397896 0.43602104 0.25000000 1.0 Al Al27 1 0.43602104 0.56397896 0.75000000 1.0 Al Al28 1 0.00000000 0.00000000 0.25000000 1.0 Al Al29 1 0.00000000 0.00000000 0.75000000 1.0 Tc Tc30 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc31 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir32 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir34 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir35 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir36 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir37 1 0.50000000 0.50000000 0.50000000 1.0