# generated using pymatgen data_Zn2Ni9O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09577011 _cell_length_b 5.09577011 _cell_length_c 16.41991918 _cell_angle_alpha 81.41483861 _cell_angle_beta 81.41483861 _cell_angle_gamma 33.16885676 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2Ni9O13 _chemical_formula_sum 'Zn2 Ni9 O13' _cell_volume 230.42567134 _cell_formula_units_Z 1 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 0.78383000 0.78383000 0.22911000 1.0 Zn Zn1 1 0.21617000 0.21617000 0.77089000 1.0 Ni Ni2 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.35354600 0.35354600 0.04103000 1.0 Ni Ni4 1 0.64645400 0.64645400 0.95897000 1.0 Ni Ni5 1 0.24922600 0.24922600 0.41873400 1.0 Ni Ni6 1 0.75077400 0.75077400 0.58126600 1.0 Ni Ni7 1 0.06367900 0.06367900 0.12361400 1.0 Ni Ni8 1 0.93632100 0.93632100 0.87638600 1.0 Ni Ni9 1 0.00649400 0.00649400 0.33454300 1.0 Ni Ni10 1 0.99350600 0.99350600 0.66545700 1.0 O O11 1 0.00000000 0.00000000 0.00000000 1.0 O O12 1 0.13912600 0.13912600 0.22897600 1.0 O O13 1 0.86087400 0.86087400 0.77102400 1.0 O O14 1 0.70393100 0.70393100 0.07005700 1.0 O O15 1 0.29606900 0.29606900 0.92994300 1.0 O O16 1 0.41608600 0.41608600 0.14702600 1.0 O O17 1 0.58391400 0.58391400 0.85297400 1.0 O O18 1 0.37343600 0.37343600 0.31066300 1.0 O O19 1 0.62656400 0.62656400 0.68933700 1.0 O O20 1 0.61578500 0.61578500 0.38845300 1.0 O O21 1 0.38421500 0.38421500 0.61154700 1.0 O O22 1 0.87125600 0.87125600 0.46272000 1.0 O O23 1 0.12874400 0.12874400 0.53728000 1.0