# generated using pymatgen data_Zr4Ni2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74115450 _cell_length_b 8.74115377 _cell_length_c 8.74115400 _cell_angle_alpha 59.99999912 _cell_angle_beta 60.00000189 _cell_angle_gamma 59.99999848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ni2O _chemical_formula_sum 'Zr16 Ni8 O4' _cell_volume 472.27105464 _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 Zr Zr0 1 0.05764400 0.69235700 0.69235600 1.0 Zr Zr1 1 0.30764300 0.94235700 0.94235600 1.0 Zr Zr2 1 0.69235700 0.05764400 0.69235600 1.0 Zr Zr3 1 0.69235600 0.69235700 0.05764400 1.0 Zr Zr4 1 0.05764400 0.05764400 0.69235700 1.0 Zr Zr5 1 0.05764400 0.69235700 0.05764400 1.0 Zr Zr6 1 0.30764300 0.94235700 0.30764300 1.0 Zr Zr7 1 0.94235600 0.30764400 0.94235600 1.0 Zr Zr8 1 0.50000000 0.50000000 0.49999900 1.0 Zr Zr9 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr10 1 0.00000000 0.50000000 0.50000100 1.0 Zr Zr11 1 0.50000000 0.00000000 0.50000000 1.0 Zr Zr12 1 0.94235600 0.30764400 0.30764300 1.0 Zr Zr13 1 0.30764300 0.30764400 0.94235600 1.0 Zr Zr14 1 0.94235700 0.94235700 0.30764300 1.0 Zr Zr15 1 0.69235700 0.05764400 0.05764300 1.0 Ni Ni16 1 0.71426400 0.71426500 0.35720700 1.0 Ni Ni17 1 0.28573500 0.28573600 0.28573600 1.0 Ni Ni18 1 0.71426400 0.35720800 0.71426400 1.0 Ni Ni19 1 0.35720700 0.71426500 0.71426400 1.0 Ni Ni20 1 0.28573600 0.64279300 0.28573600 1.0 Ni Ni21 1 0.71426400 0.71426500 0.71426500 1.0 Ni Ni22 1 0.28573500 0.28573600 0.64279300 1.0 Ni Ni23 1 0.64279300 0.28573600 0.28573600 1.0 O O24 1 0.00000000 0.50000000 0.00000000 1.0 O O25 1 0.50000000 0.00000000 0.00000000 1.0 O O26 1 0.00000000 0.00000000 0.50000000 1.0 O O27 1 0.00000000 0.00000000 0.00000000 1.0