# generated using pymatgen data_ZrTaNb6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78973890 _cell_length_b 6.78973925 _cell_length_c 6.78973882 _cell_angle_alpha 73.99520490 _cell_angle_beta 73.99519539 _cell_angle_gamma 73.99519206 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTaNb6O12 _chemical_formula_sum 'Zr1 Ta1 Nb6 O12' _cell_volume 282.37996872 _cell_formula_units_Z 1 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 Zr Zr0 1 0.27702626 0.27702626 0.27702626 1.0 Ta Ta1 1 0.72403107 0.72403107 0.72403107 1.0 Nb Nb2 1 0.94418981 0.11228458 0.71362008 1.0 Nb Nb3 1 0.71362008 0.94418981 0.11228458 1.0 Nb Nb4 1 0.11228458 0.71362008 0.94418981 1.0 Nb Nb5 1 0.05718912 0.88976346 0.28646615 1.0 Nb Nb6 1 0.28646615 0.05718912 0.88976346 1.0 Nb Nb7 1 0.88976346 0.28646615 0.05718912 1.0 O O8 1 0.17374914 0.58688017 0.25006049 1.0 O O9 1 0.25006049 0.17374914 0.58688017 1.0 O O10 1 0.58688017 0.25006049 0.17374914 1.0 O O11 1 0.82310747 0.42692077 0.74520523 1.0 O O12 1 0.74520523 0.82310747 0.42692077 1.0 O O13 1 0.42692077 0.74520523 0.82310747 1.0 O O14 1 0.64770261 0.02144740 0.80118848 1.0 O O15 1 0.80118848 0.64770261 0.02144740 1.0 O O16 1 0.96698892 0.19538707 0.35679072 1.0 O O17 1 0.19538707 0.35679072 0.96698892 1.0 O O18 1 0.35679072 0.96698892 0.19538707 1.0 O O19 1 0.02144740 0.80118848 0.64770261 1.0