# generated using pymatgen data_Nd3Al12TcIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87248393 _cell_length_b 8.87248435 _cell_length_c 9.61750950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000575 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Al12TcIr3 _chemical_formula_sum 'Nd6 Al24 Tc2 Ir6' _cell_volume 655.66755501 _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 Nd Nd0 1 0.19062183 0.38124166 0.25000000 1.0 Nd Nd1 1 0.80937817 0.61875834 0.75000000 1.0 Nd Nd2 1 0.61875834 0.80937817 0.25000000 1.0 Nd Nd3 1 0.38124166 0.19062183 0.75000000 1.0 Nd Nd4 1 0.19062183 0.80937817 0.25000000 1.0 Nd Nd5 1 0.80937817 0.19062183 0.75000000 1.0 Al Al6 1 0.33333300 0.66666700 0.01573664 1.0 Al Al7 1 0.66666700 0.33333300 0.98426336 1.0 Al Al8 1 0.66666700 0.33333300 0.51573664 1.0 Al Al9 1 0.33333300 0.66666700 0.48426336 1.0 Al Al10 1 0.16361683 0.32723366 0.57474545 1.0 Al Al11 1 0.83638317 0.67276634 0.42525455 1.0 Al Al12 1 0.67276634 0.83638317 0.57474545 1.0 Al Al13 1 0.83638317 0.67276634 0.07474545 1.0 Al Al14 1 0.32723366 0.16361683 0.42525455 1.0 Al Al15 1 0.16361683 0.32723366 0.92525455 1.0 Al Al16 1 0.16361683 0.83638317 0.57474545 1.0 Al Al17 1 0.32723366 0.16361683 0.07474545 1.0 Al Al18 1 0.83638317 0.16361683 0.42525455 1.0 Al Al19 1 0.67276634 0.83638317 0.92525455 1.0 Al Al20 1 0.83638317 0.16361683 0.07474545 1.0 Al Al21 1 0.16361683 0.83638317 0.92525455 1.0 Al Al22 1 0.56373957 0.12747814 0.25000000 1.0 Al Al23 1 0.43626043 0.87252186 0.75000000 1.0 Al Al24 1 0.87252186 0.43626043 0.25000000 1.0 Al Al25 1 0.12747814 0.56373957 0.75000000 1.0 Al Al26 1 0.56373957 0.43626043 0.25000000 1.0 Al Al27 1 0.43626043 0.56373957 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