# generated using pymatgen data_Hf2Zr7(CuP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.04447818 _cell_length_b 12.04447818 _cell_length_c 3.69778875 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr7(CuP2)2 _chemical_formula_sum 'Hf4 Zr14 Cu4 P8' _cell_volume 536.43619759 _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 0.09482131 0.40517869 0.00000000 1.0 Hf Hf1 1 0.40517869 0.90517869 0.00000000 1.0 Hf Hf2 1 0.59482131 0.09482131 0.00000000 1.0 Hf Hf3 1 0.90517869 0.59482131 0.00000000 1.0 Zr Zr4 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr5 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr6 1 0.10276878 0.18131805 0.50000000 1.0 Zr Zr7 1 0.18131805 0.89723122 0.50000000 1.0 Zr Zr8 1 0.81868195 0.10276878 0.50000000 1.0 Zr Zr9 1 0.89723122 0.81868195 0.50000000 1.0 Zr Zr10 1 0.39723122 0.68131805 0.50000000 1.0 Zr Zr11 1 0.60276878 0.31868195 0.50000000 1.0 Zr Zr12 1 0.68131805 0.60276878 0.50000000 1.0 Zr Zr13 1 0.31868195 0.39723122 0.50000000 1.0 Zr Zr14 1 0.38373890 0.11626110 0.50000000 1.0 Zr Zr15 1 0.11626110 0.61626110 0.50000000 1.0 Zr Zr16 1 0.88373890 0.38373890 0.50000000 1.0 Zr Zr17 1 0.61626110 0.88373890 0.50000000 1.0 Cu Cu18 1 0.25542478 0.24457522 0.00000000 1.0 Cu Cu19 1 0.24457522 0.74457522 0.00000000 1.0 Cu Cu20 1 0.75542478 0.25542478 0.00000000 1.0 Cu Cu21 1 0.74457522 0.75542478 0.00000000 1.0 P P22 1 0.22540977 0.05331662 0.00000000 1.0 P P23 1 0.05331662 0.77459023 0.00000000 1.0 P P24 1 0.94668338 0.22540977 0.00000000 1.0 P P25 1 0.77459023 0.94668338 0.00000000 1.0 P P26 1 0.27459023 0.55331662 0.00000000 1.0 P P27 1 0.72540977 0.44668338 0.00000000 1.0 P P28 1 0.55331662 0.72540977 0.00000000 1.0 P P29 1 0.44668338 0.27459023 0.00000000 1.0