# generated using pymatgen data_Na4Ni3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00620661 _cell_length_b 7.00620661 _cell_length_c 7.00620654 _cell_angle_alpha 69.27078778 _cell_angle_beta 69.27078778 _cell_angle_gamma 69.27078008 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Ni3O7 _chemical_formula_sum 'Na8 Ni6 O14' _cell_volume 290.36577494 _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 Na Na0 1 0.57583100 0.15643300 0.28334800 1.0 Na Na1 1 0.15643300 0.28334800 0.57583100 1.0 Na Na2 1 0.71665200 0.42416900 0.84356700 1.0 Na Na3 1 0.50000000 0.50000000 0.50000000 1.0 Na Na4 1 0.28334800 0.57583100 0.15643300 1.0 Na Na5 1 0.84356700 0.71665200 0.42416900 1.0 Na Na6 1 0.42416900 0.84356700 0.71665200 1.0 Na Na7 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni8 1 0.35626900 0.20966200 0.93166600 1.0 Ni Ni9 1 0.93166600 0.35626900 0.20966200 1.0 Ni Ni10 1 0.79033800 0.06833400 0.64373100 1.0 Ni Ni11 1 0.64373100 0.79033800 0.06833400 1.0 Ni Ni12 1 0.20966200 0.93166600 0.35626900 1.0 Ni Ni13 1 0.06833400 0.64373100 0.79033800 1.0 O O14 1 0.66381800 0.08174100 0.95394500 1.0 O O15 1 0.49259700 0.16119700 0.64534100 1.0 O O16 1 0.22845200 0.22845200 0.22845200 1.0 O O17 1 0.64534100 0.49259700 0.16119700 1.0 O O18 1 0.35465900 0.50740300 0.83880300 1.0 O O19 1 0.83880300 0.35465900 0.50740300 1.0 O O20 1 0.50740300 0.83880300 0.35465900 1.0 O O21 1 0.77154800 0.77154800 0.77154800 1.0 O O22 1 0.04605500 0.33618200 0.91825900 1.0 O O23 1 0.16119700 0.64534100 0.49259700 1.0 O O24 1 0.95394500 0.66381800 0.08174100 1.0 O O25 1 0.33618200 0.91825900 0.04605500 1.0 O O26 1 0.08174100 0.95394500 0.66381800 1.0 O O27 1 0.91825900 0.04605500 0.33618200 1.0