# generated using pymatgen data_Nd3AlGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72152374 _cell_length_b 8.03956163 _cell_length_c 13.76736366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3AlGeIr2 _chemical_formula_sum 'Nd12 Al4 Ge4 Ir8' _cell_volume 633.27866565 _cell_formula_units_Z 4 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 0.62724422 0.25459283 0.25000000 1.0 Nd Nd1 1 0.37275578 0.74540717 0.75000000 1.0 Nd Nd2 1 0.37275578 0.75459283 0.25000000 1.0 Nd Nd3 1 0.62724422 0.24540717 0.75000000 1.0 Nd Nd4 1 0.14258848 0.39682363 0.10123783 1.0 Nd Nd5 1 0.85741152 0.60317637 0.89876217 1.0 Nd Nd6 1 0.85741152 0.60317637 0.60123783 1.0 Nd Nd7 1 0.85741152 0.89682363 0.39876217 1.0 Nd Nd8 1 0.14258848 0.39682363 0.39876217 1.0 Nd Nd9 1 0.14258848 0.10317637 0.60123783 1.0 Nd Nd10 1 0.14258848 0.10317637 0.89876217 1.0 Nd Nd11 1 0.85741152 0.89682363 0.10123783 1.0 Al Al12 1 0.60798997 0.25000000 0.00000000 1.0 Al Al13 1 0.39201003 0.75000000 0.00000000 1.0 Al Al14 1 0.39201003 0.75000000 0.50000000 1.0 Al Al15 1 0.60798997 0.25000000 0.50000000 1.0 Ge Ge16 1 0.14064385 0.10613162 0.25000000 1.0 Ge Ge17 1 0.85935615 0.89386838 0.75000000 1.0 Ge Ge18 1 0.85935615 0.60613162 0.25000000 1.0 Ge Ge19 1 0.14064385 0.39386838 0.75000000 1.0 Ir Ir20 1 0.36110917 0.02803217 0.09038444 1.0 Ir Ir21 1 0.63889083 0.97196783 0.90961556 1.0 Ir Ir22 1 0.63889083 0.97196783 0.59038444 1.0 Ir Ir23 1 0.63889083 0.52803217 0.40961556 1.0 Ir Ir24 1 0.36110917 0.02803217 0.40961556 1.0 Ir Ir25 1 0.36110917 0.47196783 0.59038444 1.0 Ir Ir26 1 0.36110917 0.47196783 0.90961556 1.0 Ir Ir27 1 0.63889083 0.52803217 0.09038444 1.0