# generated using pymatgen data_Nd2Al9NiIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54821254 _cell_length_b 7.54821210 _cell_length_c 9.49712678 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.73560414 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Al9NiIr2 _chemical_formula_sum 'Nd4 Al18 Ni2 Ir4' _cell_volume 469.85298244 _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 0.99386965 0.66785226 0.25000000 1.0 Nd Nd1 1 0.00613035 0.33214774 0.75000000 1.0 Nd Nd2 1 0.66785226 0.99386965 0.25000000 1.0 Nd Nd3 1 0.33214774 0.00613035 0.75000000 1.0 Al Al4 1 0.12555318 0.12555318 0.25000000 1.0 Al Al5 1 0.87444682 0.87444682 0.75000000 1.0 Al Al6 1 0.00195783 0.33150778 0.07135765 1.0 Al Al7 1 0.99804217 0.66849222 0.92864235 1.0 Al Al8 1 0.99804217 0.66849222 0.57135765 1.0 Al Al9 1 0.33150778 0.00195783 0.42864235 1.0 Al Al10 1 0.00195783 0.33150778 0.42864235 1.0 Al Al11 1 0.66849222 0.99804217 0.57135765 1.0 Al Al12 1 0.66849222 0.99804217 0.92864235 1.0 Al Al13 1 0.33150778 0.00195783 0.07135765 1.0 Al Al14 1 0.33300488 0.33300488 0.54538512 1.0 Al Al15 1 0.66699512 0.66699512 0.45461488 1.0 Al Al16 1 0.66699512 0.66699512 0.04538512 1.0 Al Al17 1 0.33300488 0.33300488 0.95461488 1.0 Al Al18 1 0.33807459 0.54324362 0.25000000 1.0 Al Al19 1 0.66192541 0.45675638 0.75000000 1.0 Al Al20 1 0.54324362 0.33807459 0.25000000 1.0 Al Al21 1 0.45675638 0.66192541 0.75000000 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.67133862 0.32866138 0.00000000 1.0 Ir Ir25 1 0.32866138 0.67133862 0.00000000 1.0 Ir Ir26 1 0.32866138 0.67133862 0.50000000 1.0 Ir Ir27 1 0.67133862 0.32866138 0.50000000 1.0