# generated using pymatgen data_HfCrSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99617800 _cell_length_b 9.05462700 _cell_length_c 9.72496200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrSi2 _chemical_formula_sum 'Hf12 Cr12 Si24' _cell_volume 704.11067833 _cell_formula_units_Z 12 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 0.74634700 0.82816200 0.04801600 1.0 Hf Hf1 1 0.74634700 0.17183800 0.95198400 1.0 Hf Hf2 1 0.25365300 0.67183800 0.54801600 1.0 Hf Hf3 1 0.25365300 0.32816200 0.45198400 1.0 Hf Hf4 1 0.25365300 0.17183800 0.95198400 1.0 Hf Hf5 1 0.25365300 0.82816200 0.04801600 1.0 Hf Hf6 1 0.74634700 0.32816200 0.45198400 1.0 Hf Hf7 1 0.74634700 0.67183800 0.54801600 1.0 Hf Hf8 1 0.50000000 0.83088600 0.32028800 1.0 Hf Hf9 1 0.50000000 0.16911400 0.67971200 1.0 Hf Hf10 1 0.50000000 0.66911400 0.82028800 1.0 Hf Hf11 1 0.50000000 0.33088600 0.17971200 1.0 Cr Cr12 1 0.74863000 0.57937600 0.24799200 1.0 Cr Cr13 1 0.74863000 0.42062400 0.75200800 1.0 Cr Cr14 1 0.25137000 0.92062400 0.74799200 1.0 Cr Cr15 1 0.25137000 0.07937600 0.25200800 1.0 Cr Cr16 1 0.25137000 0.42062400 0.75200800 1.0 Cr Cr17 1 0.25137000 0.57937600 0.24799200 1.0 Cr Cr18 1 0.74863000 0.07937600 0.25200800 1.0 Cr Cr19 1 0.74863000 0.92062400 0.74799200 1.0 Cr Cr20 1 0.74449500 0.00000000 0.50000000 1.0 Cr Cr21 1 0.25550500 0.50000000 0.00000000 1.0 Cr Cr22 1 0.25550500 0.00000000 0.50000000 1.0 Cr Cr23 1 0.74449500 0.50000000 0.00000000 1.0 Si Si24 1 0.85106500 0.82886100 0.31888900 1.0 Si Si25 1 0.85106500 0.17113900 0.68111100 1.0 Si Si26 1 0.14893500 0.67113900 0.81888900 1.0 Si Si27 1 0.14893500 0.32886100 0.18111100 1.0 Si Si28 1 0.14893500 0.17113900 0.68111100 1.0 Si Si29 1 0.14893500 0.82886100 0.31888900 1.0 Si Si30 1 0.85106500 0.32886100 0.18111100 1.0 Si Si31 1 0.85106500 0.67113900 0.81888900 1.0 Si Si32 1 0.50000000 0.53937000 0.38037700 1.0 Si Si33 1 0.50000000 0.46063000 0.61962300 1.0 Si Si34 1 0.50000000 0.96063000 0.88037700 1.0 Si Si35 1 0.50000000 0.03937000 0.11962300 1.0 Si Si36 1 0.00000000 0.53963200 0.37647400 1.0 Si Si37 1 0.00000000 0.46036800 0.62352600 1.0 Si Si38 1 0.00000000 0.96036800 0.87647400 1.0 Si Si39 1 0.00000000 0.03963200 0.12352600 1.0 Si Si40 1 0.50000000 0.62661400 0.10399500 1.0 Si Si41 1 0.50000000 0.37338600 0.89600500 1.0 Si Si42 1 0.50000000 0.87338600 0.60399500 1.0 Si Si43 1 0.50000000 0.12661400 0.39600500 1.0 Si Si44 1 0.00000000 0.61362100 0.09800700 1.0 Si Si45 1 0.00000000 0.38637900 0.90199300 1.0 Si Si46 1 0.00000000 0.88637900 0.59800700 1.0 Si Si47 1 0.00000000 0.11362100 0.40199300 1.0