# generated using pymatgen data_NdAl10ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86106471 _cell_length_b 6.88164111 _cell_length_c 9.17070436 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 96.79433383 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdAl10ReIr _chemical_formula_sum 'Nd2 Al20 Re2 Ir2' _cell_volume 429.95748173 _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 0.88069751 0.13263211 0.75000000 1.0 Nd Nd1 1 0.11930249 0.86736789 0.25000000 1.0 Al Al2 1 0.62387369 0.38048010 0.54902619 1.0 Al Al3 1 0.37612631 0.61951990 0.45097381 1.0 Al Al4 1 0.37612631 0.61951990 0.04902619 1.0 Al Al5 1 0.62387369 0.38048010 0.95097381 1.0 Al Al6 1 0.22529537 0.22645703 0.50088166 1.0 Al Al7 1 0.77470463 0.77354297 0.49911834 1.0 Al Al8 1 0.77470463 0.77354297 0.00088166 1.0 Al Al9 1 0.22529537 0.22645703 0.99911834 1.0 Al Al10 1 0.83922790 0.16030273 0.10212957 1.0 Al Al11 1 0.16077210 0.83969727 0.89787043 1.0 Al Al12 1 0.16077210 0.83969727 0.60212957 1.0 Al Al13 1 0.83922790 0.16030273 0.39787043 1.0 Al Al14 1 0.86047218 0.59356077 0.75000000 1.0 Al Al15 1 0.13952782 0.40643923 0.25000000 1.0 Al Al16 1 0.40825189 0.14209078 0.75000000 1.0 Al Al17 1 0.59174811 0.85790922 0.25000000 1.0 Al Al18 1 0.22106929 0.48407729 0.75000000 1.0 Al Al19 1 0.77893071 0.51592271 0.25000000 1.0 Al Al20 1 0.51896692 0.78179402 0.75000000 1.0 Al Al21 1 0.48103308 0.21820598 0.25000000 1.0 Re Re22 1 0.00000000 0.50000000 0.50000000 1.0 Re Re23 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0