# generated using pymatgen data_Hf20Cu4SiAs11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67041032 _cell_length_b 10.27817887 _cell_length_c 17.52457524 _cell_angle_alpha 90.10276836 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf20Cu4SiAs11 _chemical_formula_sum 'Hf20 Cu4 Si1 As11' _cell_volume 661.11588111 _cell_formula_units_Z 1 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 0.11932472 0.47921343 1.0 Hf Hf1 1 0.75000000 0.88064555 0.52087264 1.0 Hf Hf2 1 0.75000000 0.62130959 0.02093726 1.0 Hf Hf3 1 0.25000000 0.38137237 0.97920131 1.0 Hf Hf4 1 0.25000000 0.06286731 0.08173359 1.0 Hf Hf5 1 0.75000000 0.93222723 0.91978588 1.0 Hf Hf6 1 0.75000000 0.56704538 0.41659058 1.0 Hf Hf7 1 0.25000000 0.43330152 0.58309989 1.0 Hf Hf8 1 0.25000000 0.49038059 0.27234632 1.0 Hf Hf9 1 0.75000000 0.50993959 0.72754498 1.0 Hf Hf10 1 0.75000000 0.98884826 0.22713964 1.0 Hf Hf11 1 0.25000000 0.01036431 0.77272760 1.0 Hf Hf12 1 0.25000000 0.81650405 0.36916251 1.0 Hf Hf13 1 0.75000000 0.18328878 0.63049285 1.0 Hf Hf14 1 0.75000000 0.31724247 0.13086981 1.0 Hf Hf15 1 0.25000000 0.68451746 0.87156908 1.0 Hf Hf16 1 0.25000000 0.76002243 0.16828872 1.0 Hf Hf17 1 0.75000000 0.24185365 0.83045933 1.0 Hf Hf18 1 0.75000000 0.25801588 0.32957870 1.0 Hf Hf19 1 0.25000000 0.74167921 0.67033984 1.0 Cu Cu20 1 0.25000000 0.37347936 0.41195084 1.0 Cu Cu21 1 0.75000000 0.62690773 0.58775418 1.0 Cu Cu22 1 0.75000000 0.87090578 0.08377578 1.0 Cu Cu23 1 0.25000000 0.12726107 0.91258034 1.0 Si Si24 1 0.25000000 0.81500219 0.00853146 1.0 As As25 1 0.75000000 0.18609975 0.99342134 1.0 As As26 1 0.75000000 0.31509822 0.49261996 1.0 As As27 1 0.25000000 0.68514072 0.50708877 1.0 As As28 1 0.25000000 0.51158086 0.11789425 1.0 As As29 1 0.75000000 0.48845602 0.88260190 1.0 As As30 1 0.75000000 0.01193744 0.38204166 1.0 As As31 1 0.25000000 0.98783545 0.61807493 1.0 As As32 1 0.25000000 0.19246344 0.22121915 1.0 As As33 1 0.75000000 0.80645324 0.77922484 1.0 As As34 1 0.75000000 0.69475893 0.27718794 1.0 As As35 1 0.25000000 0.30586844 0.72208068 1.0