# generated using pymatgen data_Hf6Zr3(CuP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.97888646 _cell_length_b 11.97888646 _cell_length_c 3.65880326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zr3(CuP2)2 _chemical_formula_sum 'Hf12 Zr6 Cu4 P8' _cell_volume 525.01529410 _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 0.10291188 0.18189071 0.50000000 1.0 Hf Hf1 1 0.18189071 0.89708812 0.50000000 1.0 Hf Hf2 1 0.81810929 0.10291188 0.50000000 1.0 Hf Hf3 1 0.89708812 0.81810929 0.50000000 1.0 Hf Hf4 1 0.39708812 0.68189071 0.50000000 1.0 Hf Hf5 1 0.60291188 0.31810929 0.50000000 1.0 Hf Hf6 1 0.68189071 0.60291188 0.50000000 1.0 Hf Hf7 1 0.31810929 0.39708812 0.50000000 1.0 Hf Hf8 1 0.09484975 0.40515025 0.00000000 1.0 Hf Hf9 1 0.40515025 0.90515025 0.00000000 1.0 Hf Hf10 1 0.59484975 0.09484975 0.00000000 1.0 Hf Hf11 1 0.90515025 0.59484975 0.00000000 1.0 Zr Zr12 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr13 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr14 1 0.38344439 0.11655561 0.50000000 1.0 Zr Zr15 1 0.11655561 0.61655561 0.50000000 1.0 Zr Zr16 1 0.88344439 0.38344439 0.50000000 1.0 Zr Zr17 1 0.61655561 0.88344439 0.50000000 1.0 Cu Cu18 1 0.25451591 0.24548409 0.00000000 1.0 Cu Cu19 1 0.24548409 0.74548409 0.00000000 1.0 Cu Cu20 1 0.75451591 0.25451591 0.00000000 1.0 Cu Cu21 1 0.74548409 0.75451591 0.00000000 1.0 P P22 1 0.22383092 0.05330412 0.00000000 1.0 P P23 1 0.05330412 0.77616908 0.00000000 1.0 P P24 1 0.94669588 0.22383092 0.00000000 1.0 P P25 1 0.77616908 0.94669588 0.00000000 1.0 P P26 1 0.27616908 0.55330412 0.00000000 1.0 P P27 1 0.72383092 0.44669588 0.00000000 1.0 P P28 1 0.55330412 0.72383092 0.00000000 1.0 P P29 1 0.44669588 0.27616908 0.00000000 1.0