# generated using pymatgen data_Hf5Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03351426 _cell_length_b 7.03351426 _cell_length_c 12.82076349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Si4 _chemical_formula_sum 'Hf20 Si16' _cell_volume 634.24730898 _cell_formula_units_Z 4 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 0.50080239 0.64620579 0.62639464 1.0 Hf Hf1 1 0.00080239 0.85379421 0.12360536 1.0 Hf Hf2 1 0.14620579 0.99919761 0.37639464 1.0 Hf Hf3 1 0.85379421 0.00080239 0.87639464 1.0 Hf Hf4 1 0.49919761 0.35379421 0.12639464 1.0 Hf Hf5 1 0.64620579 0.50080239 0.37360536 1.0 Hf Hf6 1 0.35379421 0.49919761 0.87360536 1.0 Hf Hf7 1 0.99919761 0.14620579 0.62360536 1.0 Hf Hf8 1 0.65211976 0.00230204 0.28340669 1.0 Hf Hf9 1 0.34788024 0.99769796 0.78340669 1.0 Hf Hf10 1 0.00230204 0.65211976 0.71659331 1.0 Hf Hf11 1 0.50230204 0.84788024 0.03340669 1.0 Hf Hf12 1 0.49769796 0.15211976 0.53340669 1.0 Hf Hf13 1 0.84788024 0.50230204 0.96659331 1.0 Hf Hf14 1 0.15211976 0.49769796 0.46659331 1.0 Hf Hf15 1 0.99769796 0.34788024 0.21659331 1.0 Hf Hf16 1 0.82529449 0.82529449 0.50000000 1.0 Hf Hf17 1 0.67470551 0.32529449 0.75000000 1.0 Hf Hf18 1 0.32529449 0.67470551 0.25000000 1.0 Hf Hf19 1 0.17470551 0.17470551 -0.00000000 1.0 Si Si20 1 0.64686377 0.70417168 0.82279939 1.0 Si Si21 1 0.35313623 0.29582832 0.32279939 1.0 Si Si22 1 0.70417168 0.64686377 0.17720061 1.0 Si Si23 1 0.20417168 0.85313623 0.57279939 1.0 Si Si24 1 0.79582832 0.14686377 0.07279939 1.0 Si Si25 1 0.85313623 0.20417168 0.42720061 1.0 Si Si26 1 0.14686377 0.79582832 0.92720061 1.0 Si Si27 1 0.29582832 0.35313623 0.67720061 1.0 Si Si28 1 0.69797243 0.95138637 0.68662075 1.0 Si Si29 1 0.30202757 0.04861363 0.18662075 1.0 Si Si30 1 0.95138637 0.69797243 0.31337925 1.0 Si Si31 1 0.45138637 0.80202757 0.43662075 1.0 Si Si32 1 0.54861363 0.19797243 0.93662075 1.0 Si Si33 1 0.80202757 0.45138637 0.56337925 1.0 Si Si34 1 0.19797243 0.54861363 0.06337925 1.0 Si Si35 1 0.04861363 0.30202757 0.81337925 1.0