# generated using pymatgen data_ZnNi3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27804700 _cell_length_b 10.09439200 _cell_length_c 10.27090400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnNi3O7 _chemical_formula_sum 'Zn4 Ni12 O28' _cell_volume 547.22016041 _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 Zn Zn0 1 0.64345500 0.75000000 0.08011500 1.0 Zn Zn1 1 0.14345500 0.25000000 0.41988500 1.0 Zn Zn2 1 0.35654500 0.25000000 0.91988500 1.0 Zn Zn3 1 0.85654500 0.75000000 0.58011500 1.0 Ni Ni4 1 0.29400700 0.02503100 0.69505100 1.0 Ni Ni5 1 0.79400700 0.97496900 0.80494900 1.0 Ni Ni6 1 0.70599300 0.52503100 0.30494900 1.0 Ni Ni7 1 0.20599300 0.47496900 0.19505100 1.0 Ni Ni8 1 0.30991900 0.75000000 0.75663700 1.0 Ni Ni9 1 0.80991900 0.25000000 0.74336300 1.0 Ni Ni10 1 0.69008100 0.25000000 0.24336300 1.0 Ni Ni11 1 0.19008100 0.75000000 0.25663700 1.0 Ni Ni12 1 0.79400700 0.52503100 0.80494900 1.0 Ni Ni13 1 0.29400700 0.47496900 0.69505100 1.0 Ni Ni14 1 0.20599300 0.02503100 0.19505100 1.0 Ni Ni15 1 0.70599300 0.97496900 0.30494900 1.0 O O16 1 0.94365300 0.12327000 0.28695400 1.0 O O17 1 0.44365300 0.87673000 0.21304600 1.0 O O18 1 0.05634700 0.62327000 0.71304600 1.0 O O19 1 0.55634700 0.37673000 0.78695400 1.0 O O20 1 0.05634700 0.87673000 0.71304600 1.0 O O21 1 0.55634700 0.12327000 0.78695400 1.0 O O22 1 0.94365300 0.37673000 0.28695400 1.0 O O23 1 0.44365300 0.62327000 0.21304600 1.0 O O24 1 0.45869900 0.12024200 0.29407100 1.0 O O25 1 0.95869900 0.87975800 0.20592900 1.0 O O26 1 0.54130100 0.62024200 0.70592900 1.0 O O27 1 0.04130100 0.37975800 0.79407100 1.0 O O28 1 0.54130100 0.87975800 0.70592900 1.0 O O29 1 0.04130100 0.12024200 0.79407100 1.0 O O30 1 0.45869900 0.37975800 0.29407100 1.0 O O31 1 0.95869900 0.62024200 0.20592900 1.0 O O32 1 0.14421400 0.75000000 0.44096900 1.0 O O33 1 0.64421400 0.25000000 0.05903100 1.0 O O34 1 0.85578600 0.25000000 0.55903100 1.0 O O35 1 0.35578600 0.75000000 0.94096900 1.0 O O36 1 0.25052600 0.39950000 0.03487000 1.0 O O37 1 0.75052600 0.60050000 0.46513000 1.0 O O38 1 0.74947400 0.89950000 0.96513000 1.0 O O39 1 0.24947400 0.10050000 0.53487000 1.0 O O40 1 0.74947400 0.60050000 0.96513000 1.0 O O41 1 0.24947400 0.39950000 0.53487000 1.0 O O42 1 0.25052600 0.10050000 0.03487000 1.0 O O43 1 0.75052600 0.89950000 0.46513000 1.0