# generated using pymatgen data_Ni6O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07198717 _cell_length_b 5.81760717 _cell_length_c 8.93404997 _cell_angle_alpha 89.87397370 _cell_angle_beta 96.23778937 _cell_angle_gamma 106.84163027 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni6O7 _chemical_formula_sum 'Ni12 O14' _cell_volume 250.69622295 _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 0.85655400 0.21404000 0.71314100 1.0 Ni Ni1 1 0.84552300 0.71072700 0.71137400 1.0 Ni Ni2 1 0.71677300 0.43073400 0.42449000 1.0 Ni Ni3 1 0.42608400 0.85498000 0.86122400 1.0 Ni Ni4 1 0.57142900 0.14285700 0.14285700 1.0 Ni Ni5 1 0.57142900 0.64285700 0.14285700 1.0 Ni Ni6 1 0.28630300 0.07167400 0.57257400 1.0 Ni Ni7 1 0.29733500 0.57498800 0.57434000 1.0 Ni Ni8 1 0.13102900 0.27874500 0.28878100 1.0 Ni Ni9 1 0.14804400 0.78962300 0.29024000 1.0 Ni Ni10 1 0.01182800 0.00696900 0.99693300 1.0 Ni Ni11 1 0.99481300 0.49609100 0.99547500 1.0 O O12 1 0.03454900 0.73812700 0.50483300 1.0 O O13 1 0.73642800 0.16619700 0.93124900 1.0 O O14 1 0.73628800 0.70419600 0.94056700 1.0 O O15 1 0.86178800 0.45966300 0.21728900 1.0 O O16 1 0.87368800 0.97343200 0.20332800 1.0 O O17 1 0.58014200 0.41164700 0.62890600 1.0 O O18 1 0.56271500 0.87406700 0.65680800 1.0 O O19 1 0.40642900 0.11951700 0.35446500 1.0 O O20 1 0.40656900 0.58151800 0.34514700 1.0 O O21 1 0.11384400 0.00686400 0.77597700 1.0 O O22 1 0.10830800 0.54758700 0.78088100 1.0 O O23 1 0.26917000 0.31228200 0.08238600 1.0 O O24 1 0.28106900 0.82605100 0.06842500 1.0 O O25 1 0.02901400 0.27885000 0.50973700 1.0