# generated using pymatgen data_Hf9TiZnRe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67305547 _cell_length_b 8.67305627 _cell_length_c 8.42908587 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000454 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9TiZnRe3 _chemical_formula_sum 'Hf18 Ti2 Zn2 Re6' _cell_volume 549.10497429 _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 0.19443406 0.80556594 0.44900124 1.0 Hf Hf1 1 0.19443406 0.38886612 0.44900124 1.0 Hf Hf2 1 0.61113388 0.80556594 0.44900124 1.0 Hf Hf3 1 0.80556594 0.19443406 0.55099876 1.0 Hf Hf4 1 0.80556594 0.61113388 0.55099876 1.0 Hf Hf5 1 0.38886612 0.19443406 0.55099876 1.0 Hf Hf6 1 0.80556594 0.19443406 0.94900124 1.0 Hf Hf7 1 0.80556594 0.61113388 0.94900124 1.0 Hf Hf8 1 0.38886612 0.19443406 0.94900124 1.0 Hf Hf9 1 0.19443406 0.80556594 0.05099876 1.0 Hf Hf10 1 0.19443406 0.38886612 0.05099876 1.0 Hf Hf11 1 0.61113388 0.80556594 0.05099876 1.0 Hf Hf12 1 0.54063347 0.45936653 0.25000000 1.0 Hf Hf13 1 0.54063347 0.08126795 0.25000000 1.0 Hf Hf14 1 0.91873205 0.45936653 0.25000000 1.0 Hf Hf15 1 0.45936653 0.54063347 0.75000000 1.0 Hf Hf16 1 0.45936653 0.91873205 0.75000000 1.0 Hf Hf17 1 0.08126795 0.54063347 0.75000000 1.0 Ti Ti18 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti19 1 0.00000000 0.00000000 0.00000000 1.0 Zn Zn20 1 0.33333300 0.66666700 0.25000000 1.0 Zn Zn21 1 0.66666700 0.33333300 0.75000000 1.0 Re Re22 1 0.88697070 0.11302930 0.25000000 1.0 Re Re23 1 0.88697070 0.77393940 0.25000000 1.0 Re Re24 1 0.22606060 0.11302930 0.25000000 1.0 Re Re25 1 0.11302930 0.88697070 0.75000000 1.0 Re Re26 1 0.11302930 0.22606060 0.75000000 1.0 Re Re27 1 0.77393940 0.88697070 0.75000000 1.0