# generated using pymatgen data_Ni3(PO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94079521 _cell_length_b 9.94079521 _cell_length_c 10.65030586 _cell_angle_alpha 88.58141442 _cell_angle_beta 88.58141442 _cell_angle_gamma 37.38257225 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3(PO4)4 _chemical_formula_sum 'Ni6 P8 O32' _cell_volume 638.76431145 _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 0.36561500 0.32719600 0.25156100 1.0 Ni Ni1 1 0.67280400 0.63438500 0.24843900 1.0 Ni Ni2 1 0.32719600 0.36561500 0.75156100 1.0 Ni Ni3 1 0.63438500 0.67280400 0.74843900 1.0 Ni Ni4 1 0.50000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.00000000 0.50000000 0.50000000 1.0 P P6 1 0.18374900 0.21921100 0.75422200 1.0 P P7 1 0.81625100 0.78078900 0.24577800 1.0 P P8 1 0.24707900 0.58529600 0.49369800 1.0 P P9 1 0.58529600 0.24707900 0.99369800 1.0 P P10 1 0.21921100 0.18374900 0.25422200 1.0 P P11 1 0.75292100 0.41470400 0.50630200 1.0 P P12 1 0.78078900 0.81625100 0.74577800 1.0 P P13 1 0.41470400 0.75292100 0.00630200 1.0 O O14 1 0.03433700 0.66866300 0.49289600 1.0 O O15 1 0.78850200 0.69245900 0.35611700 1.0 O O16 1 0.52539700 0.63411200 0.87887500 1.0 O O17 1 0.98593900 0.32044500 0.22483700 1.0 O O18 1 0.77563500 0.19526000 0.96418900 1.0 O O19 1 0.63411200 0.52539700 0.37887500 1.0 O O20 1 0.66866300 0.03433700 0.99289600 1.0 O O21 1 0.58859800 0.58625700 0.61251400 1.0 O O22 1 0.01406100 0.67955500 0.77516300 1.0 O O23 1 0.76158300 0.72572900 0.63761900 1.0 O O24 1 0.72572900 0.76158300 0.13761900 1.0 O O25 1 0.96566300 0.33133700 0.50710400 1.0 O O26 1 0.05298600 0.64060600 0.21857200 1.0 O O27 1 0.19526000 0.77563500 0.46418900 1.0 O O28 1 0.58625700 0.58859800 0.11251400 1.0 O O29 1 0.47460300 0.36588800 0.12112500 1.0 O O30 1 0.69245900 0.78850200 0.85611700 1.0 O O31 1 0.64060600 0.05298600 0.71857200 1.0 O O32 1 0.35939400 0.94701400 0.28142800 1.0 O O33 1 0.27427100 0.23841700 0.86238100 1.0 O O34 1 0.32044500 0.98593900 0.72483700 1.0 O O35 1 0.41140200 0.41374300 0.38748600 1.0 O O36 1 0.67955500 0.01406100 0.27516300 1.0 O O37 1 0.23841700 0.27427100 0.36238100 1.0 O O38 1 0.36588800 0.47460300 0.62112500 1.0 O O39 1 0.41374300 0.41140200 0.88748600 1.0 O O40 1 0.21149800 0.30754100 0.64388300 1.0 O O41 1 0.94701400 0.35939400 0.78142800 1.0 O O42 1 0.33133700 0.96566300 0.00710400 1.0 O O43 1 0.22436500 0.80474000 0.03581100 1.0 O O44 1 0.80474000 0.22436500 0.53581100 1.0 O O45 1 0.30754100 0.21149800 0.14388300 1.0