# generated using pymatgen data_Nd3AlNi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14527000 _cell_length_b 5.14526954 _cell_length_c 16.27267100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000295 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3AlNi8 _chemical_formula_sum 'Nd6 Al2 Ni16' _cell_volume 373.08326004 _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 0.33333300 0.66666700 0.95321000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.04679000 1.0 Nd Nd2 1 0.66666700 0.33333300 0.45321000 1.0 Nd Nd3 1 0.33333300 0.66666700 0.54679000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.75000000 1.0 Nd Nd5 1 0.66666700 0.33333300 0.25000000 1.0 Al Al6 1 0.00000000 0.00000000 0.50000000 1.0 Al Al7 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni8 1 0.16823000 0.83177000 0.37279500 1.0 Ni Ni9 1 0.16823000 0.33646000 0.37279500 1.0 Ni Ni10 1 0.66354000 0.83177000 0.37279500 1.0 Ni Ni11 1 0.83177000 0.16823000 0.62720500 1.0 Ni Ni12 1 0.83177000 0.66354000 0.62720500 1.0 Ni Ni13 1 0.33646000 0.16823000 0.62720500 1.0 Ni Ni14 1 0.83177000 0.16823000 0.87279500 1.0 Ni Ni15 1 0.83177000 0.66354000 0.87279500 1.0 Ni Ni16 1 0.33646000 0.16823000 0.87279500 1.0 Ni Ni17 1 0.16823000 0.83177000 0.12720500 1.0 Ni Ni18 1 0.16823000 0.33646000 0.12720500 1.0 Ni Ni19 1 0.66354000 0.83177000 0.12720500 1.0 Ni Ni20 1 0.33333300 0.66666700 0.25000000 1.0 Ni Ni21 1 0.66666700 0.33333300 0.75000000 1.0 Ni Ni22 1 0.00000000 0.00000000 0.25000000 1.0 Ni Ni23 1 0.00000000 0.00000000 0.75000000 1.0