# generated using pymatgen data_Hf3Cu8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74830372 _cell_length_b 8.03335419 _cell_length_c 9.86411380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Cu8 _chemical_formula_sum 'Hf12 Cu32' _cell_volume 613.99046294 _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 0.04050103 0.75000000 0.54739695 1.0 Hf Hf1 1 0.54050103 0.75000000 0.95260305 1.0 Hf Hf2 1 0.95949897 0.25000000 0.45260305 1.0 Hf Hf3 1 0.45949897 0.25000000 0.04739695 1.0 Hf Hf4 1 0.56240121 0.44644774 0.35906644 1.0 Hf Hf5 1 0.06240121 0.05355226 0.14093356 1.0 Hf Hf6 1 0.43759879 0.94644774 0.64093356 1.0 Hf Hf7 1 0.93759879 0.55355226 0.85906644 1.0 Hf Hf8 1 0.43759879 0.55355226 0.64093356 1.0 Hf Hf9 1 0.93759879 0.94644774 0.85906644 1.0 Hf Hf10 1 0.56240121 0.05355226 0.35906644 1.0 Hf Hf11 1 0.06240121 0.44644774 0.14093356 1.0 Cu Cu12 1 0.17637463 0.75000000 0.01685476 1.0 Cu Cu13 1 0.67637463 0.75000000 0.48314524 1.0 Cu Cu14 1 0.82362537 0.25000000 0.98314524 1.0 Cu Cu15 1 0.32362537 0.25000000 0.51685476 1.0 Cu Cu16 1 0.13018537 0.75000000 0.26558605 1.0 Cu Cu17 1 0.63018537 0.75000000 0.23441395 1.0 Cu Cu18 1 0.86981463 0.25000000 0.73441395 1.0 Cu Cu19 1 0.36981463 0.25000000 0.76558605 1.0 Cu Cu20 1 0.38390674 0.75000000 0.40277114 1.0 Cu Cu21 1 0.88390674 0.75000000 0.09722886 1.0 Cu Cu22 1 0.61609326 0.25000000 0.59722886 1.0 Cu Cu23 1 0.11609326 0.25000000 0.90277114 1.0 Cu Cu24 1 0.37861569 0.57780597 0.15971523 1.0 Cu Cu25 1 0.87861569 0.92219403 0.34028477 1.0 Cu Cu26 1 0.62138431 0.07780597 0.84028477 1.0 Cu Cu27 1 0.12138431 0.42219403 0.65971523 1.0 Cu Cu28 1 0.62138431 0.42219403 0.84028477 1.0 Cu Cu29 1 0.12138431 0.07780597 0.65971523 1.0 Cu Cu30 1 0.37861569 0.92219403 0.15971523 1.0 Cu Cu31 1 0.87861569 0.57780597 0.34028477 1.0 Cu Cu32 1 0.19939557 0.49946589 0.40729047 1.0 Cu Cu33 1 0.69939557 0.00053411 0.09270953 1.0 Cu Cu34 1 0.80060443 0.99946589 0.59270953 1.0 Cu Cu35 1 0.30060443 0.50053411 0.90729047 1.0 Cu Cu36 1 0.80060443 0.50053411 0.59270953 1.0 Cu Cu37 1 0.30060443 0.99946589 0.90729047 1.0 Cu Cu38 1 0.19939557 0.00053411 0.40729047 1.0 Cu Cu39 1 0.69939557 0.49946589 0.09270953 1.0 Cu Cu40 1 0.28416178 0.25000000 0.27355567 1.0 Cu Cu41 1 0.78416178 0.25000000 0.22644433 1.0 Cu Cu42 1 0.71583822 0.75000000 0.72644433 1.0 Cu Cu43 1 0.21583822 0.75000000 0.77355567 1.0