# generated using pymatgen data_Ni(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.61704687 _cell_length_b 10.61704687 _cell_length_c 5.17517660 _cell_angle_alpha 82.77537684 _cell_angle_beta 82.77537684 _cell_angle_gamma 71.89521953 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni(PO3)4 _chemical_formula_sum 'Ni2 P8 O24' _cell_volume 547.74154434 _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 0.00000000 0.50000000 0.50000000 1.0 Ni Ni1 1 0.50000000 0.00000000 0.50000000 1.0 P P2 1 0.93758000 0.69711100 0.97129500 1.0 P P3 1 0.35617000 0.79609400 0.32279700 1.0 P P4 1 0.20390600 0.64383000 0.67720300 1.0 P P5 1 0.64383000 0.20390600 0.67720300 1.0 P P6 1 0.06242000 0.30288900 0.02870500 1.0 P P7 1 0.30288900 0.06242000 0.02870500 1.0 P P8 1 0.69711100 0.93758000 0.97129500 1.0 P P9 1 0.79609400 0.35617000 0.32279700 1.0 O O10 1 0.84620600 0.84620600 0.89676000 1.0 O O11 1 0.83212200 0.44287500 0.49244700 1.0 O O12 1 0.16787800 0.55712500 0.50755300 1.0 O O13 1 0.55712500 0.16787800 0.50755300 1.0 O O14 1 0.22748600 0.77251400 0.50000000 1.0 O O15 1 0.77251400 0.22748600 0.50000000 1.0 O O16 1 0.06976200 0.32905800 0.73473300 1.0 O O17 1 0.32905800 0.06976200 0.73473300 1.0 O O18 1 0.32183600 0.57066600 0.83071900 1.0 O O19 1 0.57066600 0.32183600 0.83071900 1.0 O O20 1 0.07900700 0.72135400 0.86318000 1.0 O O21 1 0.72135400 0.07900700 0.86318000 1.0 O O22 1 0.15379400 0.15379400 0.10324000 1.0 O O23 1 0.60212000 0.90964700 0.81702000 1.0 O O24 1 0.90964700 0.60212000 0.81702000 1.0 O O25 1 0.93023800 0.67094200 0.26526700 1.0 O O26 1 0.39788000 0.09035300 0.18298000 1.0 O O27 1 0.44287500 0.83212200 0.49244700 1.0 O O28 1 0.27864600 0.92099300 0.13682000 1.0 O O29 1 0.92099300 0.27864600 0.13682000 1.0 O O30 1 0.42933400 0.67816400 0.16928100 1.0 O O31 1 0.67816400 0.42933400 0.16928100 1.0 O O32 1 0.67094200 0.93023800 0.26526700 1.0 O O33 1 0.09035300 0.39788000 0.18298000 1.0