# generated using pymatgen data_Ni5(TeO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24545796 _cell_length_b 8.24545796 _cell_length_c 10.31502373 _cell_angle_alpha 84.74621963 _cell_angle_beta 84.74621963 _cell_angle_gamma 62.61119055 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5(TeO6)3 _chemical_formula_sum 'Ni10 Te6 O36' _cell_volume 619.09591532 _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 Ni Ni0 1 0.31442900 0.00140200 0.72397200 1.0 Ni Ni1 1 0.00140200 0.31442900 0.22397200 1.0 Ni Ni2 1 0.16569100 0.52014000 0.03687800 1.0 Ni Ni3 1 0.52014000 0.16569100 0.53687800 1.0 Ni Ni4 1 0.47986000 0.83430900 0.46312200 1.0 Ni Ni5 1 0.83142500 0.16857500 0.75000000 1.0 Ni Ni6 1 0.16857500 0.83142500 0.25000000 1.0 Ni Ni7 1 0.83430900 0.47986000 0.96312200 1.0 Ni Ni8 1 0.68557100 0.99859800 0.27602800 1.0 Ni Ni9 1 0.99859800 0.68557100 0.77602800 1.0 Te Te10 1 0.67287000 0.65243600 0.70880100 1.0 Te Te11 1 0.00000000 0.00000000 0.00000000 1.0 Te Te12 1 0.00000000 0.00000000 0.50000000 1.0 Te Te13 1 0.65243600 0.67287000 0.20880100 1.0 Te Te14 1 0.32713000 0.34756400 0.29119900 1.0 Te Te15 1 0.34756400 0.32713000 0.79119900 1.0 O O16 1 0.91271400 0.61018400 0.63718200 1.0 O O17 1 0.24314200 0.93156800 0.56320600 1.0 O O18 1 0.42102700 0.74993900 0.31039300 1.0 O O19 1 0.92523000 0.92360100 0.17463900 1.0 O O20 1 0.06843200 0.75685800 0.93679400 1.0 O O21 1 0.07639900 0.07477000 0.32536100 1.0 O O22 1 0.59439900 0.59587500 0.05718100 1.0 O O23 1 0.90732100 0.22793200 0.58245600 1.0 O O24 1 0.09267900 0.77206800 0.41754400 1.0 O O25 1 0.23753000 0.27587700 0.14337200 1.0 O O26 1 0.42723300 0.75538600 0.79519200 1.0 O O27 1 0.76247000 0.72412300 0.85662800 1.0 O O28 1 0.75685800 0.06843200 0.43679400 1.0 O O29 1 0.55001200 0.91182900 0.61825400 1.0 O O30 1 0.24461400 0.57276700 0.70480800 1.0 O O31 1 0.40560100 0.40412500 0.94281900 1.0 O O32 1 0.57276700 0.24461400 0.20480800 1.0 O O33 1 0.08817100 0.44998800 0.88174600 1.0 O O34 1 0.25006100 0.57897300 0.18960700 1.0 O O35 1 0.75538600 0.42723300 0.29519200 1.0 O O36 1 0.61018400 0.91271400 0.13718200 1.0 O O37 1 0.44998800 0.08817100 0.38174600 1.0 O O38 1 0.77206800 0.09267900 0.91754400 1.0 O O39 1 0.59587500 0.59439900 0.55718100 1.0 O O40 1 0.57897300 0.25006100 0.68960700 1.0 O O41 1 0.92360100 0.92523000 0.67463900 1.0 O O42 1 0.27587700 0.23753000 0.64337200 1.0 O O43 1 0.40412500 0.40560100 0.44281900 1.0 O O44 1 0.93156800 0.24314200 0.06320600 1.0 O O45 1 0.91182900 0.55001200 0.11825400 1.0 O O46 1 0.08728600 0.38981600 0.36281800 1.0 O O47 1 0.07477000 0.07639900 0.82536100 1.0 O O48 1 0.22793200 0.90732100 0.08245600 1.0 O O49 1 0.72412300 0.76247000 0.35662800 1.0 O O50 1 0.74993900 0.42102700 0.81039300 1.0 O O51 1 0.38981600 0.08728600 0.86281800 1.0