# generated using pymatgen data_NaNiPO11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41675900 _cell_length_b 6.41675900 _cell_length_c 9.77864300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaNiPO11 _chemical_formula_sum 'Na2 Ni2 P2 O22' _cell_volume 402.63363131 _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 0.00000000 0.00000000 0.00000000 1.0 Na Na1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni3 1 0.50000000 0.00000000 0.00000000 1.0 P P4 1 0.50000000 0.50000000 0.75000000 1.0 P P5 1 0.50000000 0.50000000 0.25000000 1.0 O O6 1 0.50000000 0.70162500 0.65997300 1.0 O O7 1 0.50000000 0.29837500 0.65997300 1.0 O O8 1 0.29837500 0.50000000 0.15997300 1.0 O O9 1 0.70162500 0.50000000 0.15997300 1.0 O O10 1 0.50000000 0.70162500 0.34002700 1.0 O O11 1 0.50000000 0.29837500 0.34002700 1.0 O O12 1 0.70162500 0.50000000 0.84002700 1.0 O O13 1 0.29837500 0.50000000 0.84002700 1.0 O O14 1 0.00000000 0.50000000 0.68731700 1.0 O O15 1 0.50000000 0.00000000 0.18731700 1.0 O O16 1 0.00000000 0.50000000 0.31268300 1.0 O O17 1 0.50000000 0.00000000 0.81268300 1.0 O O18 1 0.19841300 0.70476500 0.50000000 1.0 O O19 1 0.80158700 0.29523500 0.50000000 1.0 O O20 1 0.29523500 0.19841300 0.00000000 1.0 O O21 1 0.70476500 0.80158700 0.00000000 1.0 O O22 1 0.80158700 0.70476500 0.50000000 1.0 O O23 1 0.19841300 0.29523500 0.50000000 1.0 O O24 1 0.70476500 0.19841300 0.00000000 1.0 O O25 1 0.29523500 0.80158700 0.00000000 1.0 O O26 1 0.00000000 0.00000000 0.75000000 1.0 O O27 1 0.00000000 0.00000000 0.25000000 1.0