# generated using pymatgen data_Hf3(ZrSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06934167 _cell_length_b 7.06934167 _cell_length_c 12.91940545 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3(ZrSi2)2 _chemical_formula_sum 'Hf12 Zr8 Si16' _cell_volume 645.65493080 _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 0.17444534 0.17444534 0.00000000 1.0 Hf Hf1 1 0.82555466 0.82555466 0.50000000 1.0 Hf Hf2 1 0.32555466 0.67444534 0.25000000 1.0 Hf Hf3 1 0.67444534 0.32555466 0.75000000 1.0 Hf Hf4 1 0.14778642 0.99878943 0.37625963 1.0 Hf Hf5 1 0.85221358 0.00121057 0.87625963 1.0 Hf Hf6 1 0.50121057 0.64778642 0.62625963 1.0 Hf Hf7 1 0.35221358 0.49878943 0.87374037 1.0 Hf Hf8 1 0.49878943 0.35221358 0.12625963 1.0 Hf Hf9 1 0.64778642 0.50121057 0.37374037 1.0 Hf Hf10 1 0.99878943 0.14778642 0.62374037 1.0 Hf Hf11 1 0.00121057 0.85221358 0.12374037 1.0 Zr Zr12 1 0.99831554 0.34749224 0.21615607 1.0 Zr Zr13 1 0.00168446 0.65250776 0.71615607 1.0 Zr Zr14 1 0.15250776 0.49831554 0.46615607 1.0 Zr Zr15 1 0.50168446 0.84749224 0.03384393 1.0 Zr Zr16 1 0.84749224 0.50168446 0.96615607 1.0 Zr Zr17 1 0.49831554 0.15250776 0.53384393 1.0 Zr Zr18 1 0.34749224 0.99831554 0.78384393 1.0 Zr Zr19 1 0.65250776 0.00168446 0.28384393 1.0 Si Si20 1 0.35537449 0.29546182 0.32211010 1.0 Si Si21 1 0.64462551 0.70453818 0.82211010 1.0 Si Si22 1 0.20453818 0.85537449 0.57211010 1.0 Si Si23 1 0.14462551 0.79546182 0.92788990 1.0 Si Si24 1 0.79546182 0.14462551 0.07211010 1.0 Si Si25 1 0.85537449 0.20453818 0.42788990 1.0 Si Si26 1 0.29546182 0.35537449 0.67788990 1.0 Si Si27 1 0.70453818 0.64462551 0.17788990 1.0 Si Si28 1 0.29958460 0.04903721 0.18689923 1.0 Si Si29 1 0.70041540 0.95096279 0.68689923 1.0 Si Si30 1 0.45096279 0.79958460 0.43689923 1.0 Si Si31 1 0.20041540 0.54903721 0.06310077 1.0 Si Si32 1 0.54903721 0.20041540 0.93689923 1.0 Si Si33 1 0.79958460 0.45096279 0.56310077 1.0 Si Si34 1 0.04903721 0.29958460 0.81310077 1.0 Si Si35 1 0.95096279 0.70041540 0.31310077 1.0