# generated using pymatgen data_Hf10SiNi2As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66294304 _cell_length_b 10.30263442 _cell_length_c 17.39880404 _cell_angle_alpha 90.24441851 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf10SiNi2As5 _chemical_formula_sum 'Hf20 Si2 Ni4 As10' _cell_volume 656.58944890 _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 0.25000000 0.11901389 0.47898696 1.0 Hf Hf1 1 0.75000000 0.88098611 0.52101304 1.0 Hf Hf2 1 0.75000000 0.62254414 0.02113255 1.0 Hf Hf3 1 0.25000000 0.37745586 0.97886745 1.0 Hf Hf4 1 0.25000000 0.05976482 0.07653013 1.0 Hf Hf5 1 0.75000000 0.94023518 0.92346987 1.0 Hf Hf6 1 0.75000000 0.55986568 0.41945897 1.0 Hf Hf7 1 0.25000000 0.44013432 0.58054103 1.0 Hf Hf8 1 0.25000000 0.48697262 0.27316822 1.0 Hf Hf9 1 0.75000000 0.51302738 0.72683178 1.0 Hf Hf10 1 0.75000000 0.98713405 0.22573719 1.0 Hf Hf11 1 0.25000000 0.01286595 0.77426281 1.0 Hf Hf12 1 0.25000000 0.81557665 0.36900022 1.0 Hf Hf13 1 0.75000000 0.18442335 0.63099978 1.0 Hf Hf14 1 0.75000000 0.31435052 0.12900004 1.0 Hf Hf15 1 0.25000000 0.68564948 0.87099996 1.0 Hf Hf16 1 0.25000000 0.76115644 0.16616237 1.0 Hf Hf17 1 0.75000000 0.23884356 0.83383763 1.0 Hf Hf18 1 0.75000000 0.26050306 0.33173341 1.0 Hf Hf19 1 0.25000000 0.73949694 0.66826659 1.0 Si Si20 1 0.25000000 0.81355907 0.00861727 1.0 Si Si21 1 0.75000000 0.18644093 0.99138273 1.0 Ni Ni22 1 0.25000000 0.36695984 0.41221365 1.0 Ni Ni23 1 0.75000000 0.63304016 0.58778635 1.0 Ni Ni24 1 0.75000000 0.86533886 0.08627229 1.0 Ni Ni25 1 0.25000000 0.13466114 0.91372771 1.0 As As26 1 0.75000000 0.31351938 0.49273230 1.0 As As27 1 0.25000000 0.68648062 0.50726770 1.0 As As28 1 0.25000000 0.50920923 0.11786636 1.0 As As29 1 0.75000000 0.49079077 0.88213364 1.0 As As30 1 0.75000000 0.01115637 0.38112199 1.0 As As31 1 0.25000000 0.98884363 0.61887801 1.0 As As32 1 0.25000000 0.18931291 0.21961148 1.0 As As33 1 0.75000000 0.81068709 0.78038852 1.0 As As34 1 0.75000000 0.68967309 0.27886819 1.0 As As35 1 0.25000000 0.31032691 0.72113181 1.0