# generated using pymatgen data_HfZr3Cu2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64619581 _cell_length_b 8.64619553 _cell_length_c 8.64619617 _cell_angle_alpha 60.00000131 _cell_angle_beta 60.00000236 _cell_angle_gamma 60.00000052 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3Cu2O _chemical_formula_sum 'Hf4 Zr12 Cu8 O4' _cell_volume 457.04632348 _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 0.12500000 0.62500000 0.62500000 1.0 Hf Hf1 1 0.62500000 0.12500000 0.62500000 1.0 Hf Hf2 1 0.62500000 0.62500000 0.12500000 1.0 Hf Hf3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.81686887 0.81686887 0.18313113 1.0 Zr Zr5 1 0.18313113 0.18313113 0.81686887 1.0 Zr Zr6 1 0.81686887 0.18313113 0.81686887 1.0 Zr Zr7 1 0.18313113 0.81686887 0.18313113 1.0 Zr Zr8 1 0.18313113 0.81686887 0.81686887 1.0 Zr Zr9 1 0.81686887 0.18313113 0.18313113 1.0 Zr Zr10 1 0.43313113 0.43313113 0.06686887 1.0 Zr Zr11 1 0.06686887 0.06686887 0.43313113 1.0 Zr Zr12 1 0.43313113 0.06686887 0.43313113 1.0 Zr Zr13 1 0.06686887 0.43313113 0.06686887 1.0 Zr Zr14 1 0.06686887 0.43313113 0.43313113 1.0 Zr Zr15 1 0.43313113 0.06686887 0.06686887 1.0 Cu Cu16 1 0.74693993 0.41768669 0.41768669 1.0 Cu Cu17 1 0.41768669 0.74693993 0.41768669 1.0 Cu Cu18 1 0.41768669 0.41768669 0.74693993 1.0 Cu Cu19 1 0.41768669 0.41768669 0.41768669 1.0 Cu Cu20 1 0.50306007 0.83231331 0.83231331 1.0 Cu Cu21 1 0.83231331 0.50306007 0.83231331 1.0 Cu Cu22 1 0.83231331 0.83231331 0.50306007 1.0 Cu Cu23 1 0.83231331 0.83231331 0.83231331 1.0 O O24 1 0.62500000 0.12500000 0.12500000 1.0 O O25 1 0.12500000 0.62500000 0.12500000 1.0 O O26 1 0.12500000 0.12500000 0.62500000 1.0 O O27 1 0.12500000 0.12500000 0.12500000 1.0