# generated using pymatgen data_TaZn2NiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57602400 _cell_length_b 5.19889800 _cell_length_c 5.38299275 _cell_angle_alpha 86.26412867 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaZn2NiO6 _chemical_formula_sum 'Ta2 Zn4 Ni2 O12' _cell_volume 211.56926860 _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 Ta Ta0 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta1 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn2 1 0.75000000 0.98829500 0.03096500 1.0 Zn Zn3 1 0.75000000 0.50530700 0.55296100 1.0 Zn Zn4 1 0.25000000 0.49469300 0.44703900 1.0 Zn Zn5 1 0.25000000 0.01170500 0.96903500 1.0 Ni Ni6 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni7 1 0.50000000 0.50000000 0.00000000 1.0 O O8 1 0.43721700 0.17973400 0.17659700 1.0 O O9 1 0.56885500 0.69174600 0.32399200 1.0 O O10 1 0.56278300 0.82026600 0.82340300 1.0 O O11 1 0.06885500 0.30825400 0.67600800 1.0 O O12 1 0.25000000 0.87056200 0.54887200 1.0 O O13 1 0.43114500 0.30825400 0.67600800 1.0 O O14 1 0.93114500 0.69174600 0.32399200 1.0 O O15 1 0.06278300 0.17973400 0.17659700 1.0 O O16 1 0.75000000 0.37349200 0.92561100 1.0 O O17 1 0.93721700 0.82026600 0.82340300 1.0 O O18 1 0.25000000 0.62650800 0.07438900 1.0 O O19 1 0.75000000 0.12943800 0.45112800 1.0