# generated using pymatgen data_Nd4Al17GaIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55909145 _cell_length_b 7.55909046 _cell_length_c 9.58321794 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.39268932 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Al17GaIr6 _chemical_formula_sum 'Nd4 Al17 Ga1 Ir6' _cell_volume 477.09677203 _cell_formula_units_Z 1 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 0.99472627 0.67481155 0.25000000 1.0 Nd Nd1 1 0.00364798 0.32841147 0.75000000 1.0 Nd Nd2 1 0.67481155 0.99472627 0.25000000 1.0 Nd Nd3 1 0.32841147 0.00364798 0.75000000 1.0 Al Al4 1 0.86798387 0.86798387 0.75000000 1.0 Al Al5 1 0.00363451 0.33601959 0.07131520 1.0 Al Al6 1 0.99653261 0.66441875 0.92825600 1.0 Al Al7 1 0.99653261 0.66441875 0.57174400 1.0 Al Al8 1 0.33601959 0.00363451 0.42868480 1.0 Al Al9 1 0.00363451 0.33601959 0.42868480 1.0 Al Al10 1 0.66441875 0.99653261 0.57174400 1.0 Al Al11 1 0.66441875 0.99653261 0.92825600 1.0 Al Al12 1 0.33601959 0.00363451 0.07131520 1.0 Al Al13 1 0.33448121 0.33448121 0.54933553 1.0 Al Al14 1 0.66388273 0.66388273 0.45568653 1.0 Al Al15 1 0.66388273 0.66388273 0.04431347 1.0 Al Al16 1 0.33448121 0.33448121 0.95066447 1.0 Al Al17 1 0.33857473 0.54697823 0.25000000 1.0 Al Al18 1 0.66049819 0.45348899 0.75000000 1.0 Al Al19 1 0.54697823 0.33857473 0.25000000 1.0 Al Al20 1 0.45348899 0.66049819 0.75000000 1.0 Ga Ga21 1 0.13728234 0.13728234 0.25000000 1.0 Ir Ir22 1 0.67040962 0.32813216 0.00013991 1.0 Ir Ir23 1 0.32813216 0.67040962 0.00013991 1.0 Ir Ir24 1 0.32813216 0.67040962 0.49986009 1.0 Ir Ir25 1 0.67040962 0.32813216 0.49986009 1.0 Ir Ir26 1 0.99928800 0.99928800 0.99809855 1.0 Ir Ir27 1 0.99928800 0.99928800 0.50190145 1.0