# generated using pymatgen data_Hf9Re3IrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67580115 _cell_length_b 8.67580049 _cell_length_c 8.44440682 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999496 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re3IrW _chemical_formula_sum 'Hf18 Re6 Ir2 W2' _cell_volume 550.45135794 _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 Hf Hf0 1 0.19659524 0.80340476 0.44491674 1.0 Hf Hf1 1 0.19659524 0.39318848 0.44491674 1.0 Hf Hf2 1 0.60681152 0.80340476 0.44491674 1.0 Hf Hf3 1 0.80340476 0.19659524 0.55508326 1.0 Hf Hf4 1 0.80340476 0.60681152 0.55508326 1.0 Hf Hf5 1 0.39318848 0.19659524 0.55508326 1.0 Hf Hf6 1 0.80340476 0.19659524 0.94491674 1.0 Hf Hf7 1 0.80340476 0.60681152 0.94491674 1.0 Hf Hf8 1 0.39318848 0.19659524 0.94491674 1.0 Hf Hf9 1 0.19659524 0.80340476 0.05508326 1.0 Hf Hf10 1 0.19659524 0.39318848 0.05508326 1.0 Hf Hf11 1 0.60681152 0.80340476 0.05508326 1.0 Hf Hf12 1 0.54129210 0.45870790 0.25000000 1.0 Hf Hf13 1 0.54129210 0.08258220 0.25000000 1.0 Hf Hf14 1 0.91741780 0.45870790 0.25000000 1.0 Hf Hf15 1 0.45870790 0.54129210 0.75000000 1.0 Hf Hf16 1 0.45870790 0.91741780 0.75000000 1.0 Hf Hf17 1 0.08258220 0.54129210 0.75000000 1.0 Re Re18 1 0.88877767 0.11122233 0.25000000 1.0 Re Re19 1 0.88877767 0.77755533 0.25000000 1.0 Re Re20 1 0.22244467 0.11122233 0.25000000 1.0 Re Re21 1 0.11122233 0.88877767 0.75000000 1.0 Re Re22 1 0.11122233 0.22244467 0.75000000 1.0 Re Re23 1 0.77755533 0.88877767 0.75000000 1.0 Ir Ir24 1 0.33333300 0.66666700 0.25000000 1.0 Ir Ir25 1 0.66666700 0.33333300 0.75000000 1.0 W W26 1 0.00000000 0.00000000 0.50000000 1.0 W W27 1 0.00000000 0.00000000 0.00000000 1.0