# generated using pymatgen data_Na3(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55173600 _cell_length_b 8.60744100 _cell_length_c 10.06851300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3(NiO2)2 _chemical_formula_sum 'Na12 Ni8 O16' _cell_volume 481.13637934 _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 Na Na0 1 0.05425700 0.14922700 0.09695200 1.0 Na Na1 1 0.05425700 0.14922700 0.40304800 1.0 Na Na2 1 0.15196500 0.82534600 0.25000000 1.0 Na Na3 1 0.34803500 0.32534600 0.75000000 1.0 Na Na4 1 0.44574300 0.64922700 0.90304800 1.0 Na Na5 1 0.44574300 0.64922700 0.59695200 1.0 Na Na6 1 0.55425700 0.35077300 0.09695200 1.0 Na Na7 1 0.55425700 0.35077300 0.40304800 1.0 Na Na8 1 0.65196500 0.67465400 0.25000000 1.0 Na Na9 1 0.84803500 0.17465400 0.75000000 1.0 Na Na10 1 0.94574300 0.85077300 0.59695200 1.0 Na Na11 1 0.94574300 0.85077300 0.90304800 1.0 Ni Ni12 1 0.05910000 0.48673400 0.12251800 1.0 Ni Ni13 1 0.05910000 0.48673400 0.37748200 1.0 Ni Ni14 1 0.44090000 0.98673400 0.87748200 1.0 Ni Ni15 1 0.44090000 0.98673400 0.62251800 1.0 Ni Ni16 1 0.55910000 0.01326600 0.12251800 1.0 Ni Ni17 1 0.55910000 0.01326600 0.37748200 1.0 Ni Ni18 1 0.94090000 0.51326600 0.62251800 1.0 Ni Ni19 1 0.94090000 0.51326600 0.87748200 1.0 O O20 1 0.10956800 0.64134200 0.75000000 1.0 O O21 1 0.19071100 0.39627400 0.53319400 1.0 O O22 1 0.19071100 0.39627400 0.96680600 1.0 O O23 1 0.22109200 0.06490000 0.75000000 1.0 O O24 1 0.27890800 0.56490000 0.25000000 1.0 O O25 1 0.30928900 0.89627400 0.03319400 1.0 O O26 1 0.30928900 0.89627400 0.46680600 1.0 O O27 1 0.39043200 0.14134200 0.25000000 1.0 O O28 1 0.60956800 0.85865800 0.75000000 1.0 O O29 1 0.69071100 0.10372600 0.53319400 1.0 O O30 1 0.69071100 0.10372600 0.96680600 1.0 O O31 1 0.72109200 0.43510000 0.75000000 1.0 O O32 1 0.77890800 0.93510000 0.25000000 1.0 O O33 1 0.80928900 0.60372600 0.03319400 1.0 O O34 1 0.80928900 0.60372600 0.46680600 1.0 O O35 1 0.89043200 0.35865800 0.25000000 1.0