# generated using pymatgen data_Hf8Zr(CuP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.93917138 _cell_length_b 11.93912952 _cell_length_c 3.64429080 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Zr(CuP2)2 _chemical_formula_sum 'Hf16 Zr2 Cu4 P8' _cell_volume 519.46928612 _cell_formula_units_Z 2 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 0.00059557 0.99991808 0.00000000 1.0 Hf Hf1 1 0.49940443 0.49991808 0.00000000 1.0 Hf Hf2 1 0.10341267 0.18189467 0.50000000 1.0 Hf Hf3 1 0.18273270 0.89727474 0.50000000 1.0 Hf Hf4 1 0.81849396 0.10291127 0.50000000 1.0 Hf Hf5 1 0.89775113 0.81764736 0.50000000 1.0 Hf Hf6 1 0.39658733 0.68189467 0.50000000 1.0 Hf Hf7 1 0.60224887 0.31764736 0.50000000 1.0 Hf Hf8 1 0.68150604 0.60291127 0.50000000 1.0 Hf Hf9 1 0.31726730 0.39727474 0.50000000 1.0 Hf Hf10 1 0.09474541 0.40628292 0.00000000 1.0 Hf Hf11 1 0.40525459 0.90628292 0.00000000 1.0 Hf Hf12 1 0.59377101 0.09480961 0.00000000 1.0 Hf Hf13 1 0.90622899 0.59480961 0.00000000 1.0 Hf Hf14 1 0.38287892 0.11721037 0.50000000 1.0 Hf Hf15 1 0.11712108 0.61721037 0.50000000 1.0 Zr Zr16 1 0.88308613 0.38316514 0.50000000 1.0 Zr Zr17 1 0.61691387 0.88316514 0.50000000 1.0 Cu Cu18 1 0.25495414 0.24511393 0.00000000 1.0 Cu Cu19 1 0.24504586 0.74511393 0.00000000 1.0 Cu Cu20 1 0.75438247 0.25443194 0.00000000 1.0 Cu Cu21 1 0.74561753 0.75443194 0.00000000 1.0 P P22 1 0.22335703 0.05359386 0.00000000 1.0 P P23 1 0.05389168 0.77698735 0.00000000 1.0 P P24 1 0.94701695 0.22208238 0.00000000 1.0 P P25 1 0.77823977 0.94667537 0.00000000 1.0 P P26 1 0.27664297 0.55359386 0.00000000 1.0 P P27 1 0.72176023 0.44667537 0.00000000 1.0 P P28 1 0.55298305 0.72208238 0.00000000 1.0 P P29 1 0.44610832 0.27698735 0.00000000 1.0