# generated using pymatgen data_Hf6Cr5Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09243400 _cell_length_b 13.22398100 _cell_length_c 16.29264200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Cr5Si7 _chemical_formula_sum 'Hf24 Cr20 Si28' _cell_volume 1097.18317822 _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 0.25000000 0.18174400 0.28995700 1.0 Hf Hf1 1 0.75000000 0.81825600 0.71004300 1.0 Hf Hf2 1 0.75000000 0.68174400 0.21004300 1.0 Hf Hf3 1 0.25000000 0.31825600 0.78995700 1.0 Hf Hf4 1 0.25000000 0.81742000 0.14959000 1.0 Hf Hf5 1 0.75000000 0.18258000 0.85041000 1.0 Hf Hf6 1 0.75000000 0.31742000 0.35041000 1.0 Hf Hf7 1 0.25000000 0.68258000 0.64959000 1.0 Hf Hf8 1 0.25000000 0.96800700 0.67613000 1.0 Hf Hf9 1 0.75000000 0.03199300 0.32387000 1.0 Hf Hf10 1 0.75000000 0.46800700 0.82387000 1.0 Hf Hf11 1 0.25000000 0.53199300 0.17613000 1.0 Hf Hf12 1 0.25000000 0.73106000 0.44352200 1.0 Hf Hf13 1 0.75000000 0.26894000 0.55647800 1.0 Hf Hf14 1 0.75000000 0.23106000 0.05647800 1.0 Hf Hf15 1 0.25000000 0.76894000 0.94352200 1.0 Hf Hf16 1 0.25000000 0.97100000 0.43763200 1.0 Hf Hf17 1 0.75000000 0.02900000 0.56236800 1.0 Hf Hf18 1 0.75000000 0.47100000 0.06236800 1.0 Hf Hf19 1 0.25000000 0.52900000 0.93763200 1.0 Hf Hf20 1 0.25000000 0.35018400 0.46490400 1.0 Hf Hf21 1 0.75000000 0.64981600 0.53509600 1.0 Hf Hf22 1 0.75000000 0.85018400 0.03509600 1.0 Hf Hf23 1 0.25000000 0.14981600 0.96490400 1.0 Cr Cr24 1 0.25000000 0.14421900 0.56367700 1.0 Cr Cr25 1 0.75000000 0.85578100 0.43632300 1.0 Cr Cr26 1 0.75000000 0.64421900 0.93632300 1.0 Cr Cr27 1 0.25000000 0.35578100 0.06367700 1.0 Cr Cr28 1 0.50050700 0.16133900 0.68546500 1.0 Cr Cr29 1 0.00050700 0.83866100 0.31453500 1.0 Cr Cr30 1 0.49949300 0.66133900 0.81453500 1.0 Cr Cr31 1 0.99949300 0.33866100 0.18546500 1.0 Cr Cr32 1 0.49949300 0.83866100 0.31453500 1.0 Cr Cr33 1 0.99949300 0.16133900 0.68546500 1.0 Cr Cr34 1 0.50050700 0.33866100 0.18546500 1.0 Cr Cr35 1 0.00050700 0.66133900 0.81453500 1.0 Cr Cr36 1 0.51296200 0.03967600 0.13020400 1.0 Cr Cr37 1 0.01296200 0.96032400 0.86979600 1.0 Cr Cr38 1 0.48703800 0.53967600 0.36979600 1.0 Cr Cr39 1 0.98703800 0.46032400 0.63020400 1.0 Cr Cr40 1 0.48703800 0.96032400 0.86979600 1.0 Cr Cr41 1 0.98703800 0.03967600 0.13020400 1.0 Cr Cr42 1 0.51296200 0.46032400 0.63020400 1.0 Cr Cr43 1 0.01296200 0.53967600 0.36979600 1.0 Si Si44 1 0.49640300 0.84086700 0.56153900 1.0 Si Si45 1 0.99640300 0.15913300 0.43846100 1.0 Si Si46 1 0.50359700 0.34086700 0.93846100 1.0 Si Si47 1 0.00359700 0.65913300 0.06153900 1.0 Si Si48 1 0.50359700 0.15913300 0.43846100 1.0 Si Si49 1 0.00359700 0.84086700 0.56153900 1.0 Si Si50 1 0.49640300 0.65913300 0.06153900 1.0 Si Si51 1 0.99640300 0.34086700 0.93846100 1.0 Si Si52 1 0.25000000 0.97997400 0.25810200 1.0 Si Si53 1 0.75000000 0.02002600 0.74189800 1.0 Si Si54 1 0.75000000 0.47997400 0.24189800 1.0 Si Si55 1 0.25000000 0.52002600 0.75810200 1.0 Si Si56 1 0.25000000 0.81894200 0.78533600 1.0 Si Si57 1 0.75000000 0.18105800 0.21466400 1.0 Si Si58 1 0.75000000 0.31894200 0.71466400 1.0 Si Si59 1 0.25000000 0.68105800 0.28533600 1.0 Si Si60 1 0.25000000 0.19392100 0.12534600 1.0 Si Si61 1 0.75000000 0.80607900 0.87465400 1.0 Si Si62 1 0.75000000 0.69392100 0.37465400 1.0 Si Si63 1 0.25000000 0.30607900 0.62534600 1.0 Si Si64 1 0.25000000 0.10722300 0.80506300 1.0 Si Si65 1 0.75000000 0.89277700 0.19493700 1.0 Si Si66 1 0.75000000 0.60722300 0.69493700 1.0 Si Si67 1 0.25000000 0.39277700 0.30506300 1.0 Si Si68 1 0.25000000 0.95168600 0.01536800 1.0 Si Si69 1 0.75000000 0.04831400 0.98463200 1.0 Si Si70 1 0.75000000 0.45168600 0.48463200 1.0 Si Si71 1 0.25000000 0.54831400 0.51536800 1.0