# generated using pymatgen data_Hf3Zr6Ta4O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76903805 _cell_length_b 8.76903875 _cell_length_c 8.52300467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000479 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr6Ta4O3 _chemical_formula_sum 'Hf6 Zr12 Ta8 O6' _cell_volume 567.58025770 _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 0.45281945 0.90564091 0.25000000 1.0 Hf Hf1 1 0.54718055 0.09435909 0.75000000 1.0 Hf Hf2 1 0.09435909 0.54718055 0.25000000 1.0 Hf Hf3 1 0.90564091 0.45281945 0.75000000 1.0 Hf Hf4 1 0.45281945 0.54718055 0.25000000 1.0 Hf Hf5 1 0.54718055 0.45281945 0.75000000 1.0 Zr Zr6 1 0.20725864 0.41451928 0.56256644 1.0 Zr Zr7 1 0.79274136 0.58548072 0.43743356 1.0 Zr Zr8 1 0.58548072 0.79274136 0.56256644 1.0 Zr Zr9 1 0.79274136 0.58548072 0.06256644 1.0 Zr Zr10 1 0.41451928 0.20725864 0.43743356 1.0 Zr Zr11 1 0.20725864 0.41451928 0.93743356 1.0 Zr Zr12 1 0.20725864 0.79274136 0.56256644 1.0 Zr Zr13 1 0.41451928 0.20725864 0.06256644 1.0 Zr Zr14 1 0.79274136 0.20725864 0.43743356 1.0 Zr Zr15 1 0.58548072 0.79274136 0.93743356 1.0 Zr Zr16 1 0.79274136 0.20725864 0.06256644 1.0 Zr Zr17 1 0.20725864 0.79274136 0.93743356 1.0 Ta Ta18 1 0.11211347 0.22422594 0.25000000 1.0 Ta Ta19 1 0.88788653 0.77577406 0.75000000 1.0 Ta Ta20 1 0.77577406 0.88788653 0.25000000 1.0 Ta Ta21 1 0.22422594 0.11211347 0.75000000 1.0 Ta Ta22 1 0.11211347 0.88788653 0.25000000 1.0 Ta Ta23 1 0.88788653 0.11211347 0.75000000 1.0 Ta Ta24 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta25 1 0.00000000 0.00000000 0.50000000 1.0 O O26 1 0.50000000 0.00000000 0.00000000 1.0 O O27 1 0.00000000 0.50000000 0.00000000 1.0 O O28 1 0.50000000 0.00000000 0.50000000 1.0 O O29 1 0.50000000 0.50000000 0.00000000 1.0 O O30 1 0.00000000 0.50000000 0.50000000 1.0 O O31 1 0.50000000 0.50000000 0.50000000 1.0