# generated using pymatgen data_Hf6Ni20As13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.88186021 _cell_length_b 12.88185899 _cell_length_c 3.67797951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000066 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Ni20As13 _chemical_formula_sum 'Hf6 Ni20 As13' _cell_volume 528.56336332 _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 Hf Hf0 1 0.52435559 0.80578200 0.00000000 1.0 Hf Hf1 1 0.28142541 0.47564441 0.00000000 1.0 Hf Hf2 1 0.19421800 0.71857459 0.00000000 1.0 Hf Hf3 1 0.80462347 0.28123497 0.50000000 1.0 Hf Hf4 1 0.47661151 0.19537653 0.50000000 1.0 Hf Hf5 1 0.71876503 0.52338849 0.50000000 1.0 Ni Ni6 1 0.79843990 0.90530288 0.00000000 1.0 Ni Ni7 1 0.10686198 0.20156010 0.00000000 1.0 Ni Ni8 1 0.09469712 0.89313802 0.00000000 1.0 Ni Ni9 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni10 1 0.92200471 0.08292134 0.50000000 1.0 Ni Ni11 1 0.16091563 0.07799529 0.50000000 1.0 Ni Ni12 1 0.91707866 0.83908437 0.50000000 1.0 Ni Ni13 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni14 1 0.56644456 0.58333879 0.00000000 1.0 Ni Ni15 1 0.01689423 0.43355544 0.00000000 1.0 Ni Ni16 1 0.41666121 0.98310577 0.00000000 1.0 Ni Ni17 1 0.67620524 0.74848218 0.50000000 1.0 Ni Ni18 1 0.07227794 0.32379476 0.50000000 1.0 Ni Ni19 1 0.25151782 0.92772206 0.50000000 1.0 Ni Ni20 1 0.98257677 0.56397952 0.50000000 1.0 Ni Ni21 1 0.58140275 0.01742323 0.50000000 1.0 Ni Ni22 1 0.43602048 0.41859725 0.50000000 1.0 Ni Ni23 1 0.75089210 0.07811029 0.00000000 1.0 Ni Ni24 1 0.32721819 0.24910790 0.00000000 1.0 Ni Ni25 1 0.92188971 0.67278181 0.00000000 1.0 As As26 1 0.47279571 0.61448199 0.50000000 1.0 As As27 1 0.14168627 0.52720429 0.50000000 1.0 As As28 1 0.38551801 0.85831373 0.50000000 1.0 As As29 1 0.71091168 0.94467150 0.50000000 1.0 As As30 1 0.23376082 0.28908832 0.50000000 1.0 As As31 1 0.05532850 0.76623918 0.50000000 1.0 As As32 1 0.85937731 0.47098251 0.00000000 1.0 As As33 1 0.61160520 0.14062269 0.00000000 1.0 As As34 1 0.52901749 0.38839480 0.00000000 1.0 As As35 1 0.94218849 0.22988429 0.00000000 1.0 As As36 1 0.28769580 0.05781151 0.00000000 1.0 As As37 1 0.77011571 0.71230420 0.00000000 1.0 As As38 1 0.00000000 0.00000000 0.00000000 1.0