# generated using pymatgen data_Li2Ni3P9O28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00766900 _cell_length_b 9.01063437 _cell_length_c 9.08640166 _cell_angle_alpha 110.56498665 _cell_angle_beta 110.05363555 _cell_angle_gamma 99.35786024 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ni3P9O28 _chemical_formula_sum 'Li2 Ni3 P9 O28' _cell_volume 477.77026278 _cell_formula_units_Z 1 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 Li Li0 1 0.69132600 0.96047300 0.21414000 1.0 Li Li1 1 0.30867400 0.03952700 0.78586000 1.0 Ni Ni2 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni3 1 0.24458000 0.98874700 0.24725500 1.0 Ni Ni4 1 0.75542000 0.01125300 0.75274500 1.0 P P5 1 0.30091900 0.75533300 0.44498900 1.0 P P6 1 0.79227100 0.76205100 0.93423000 1.0 P P7 1 0.68533700 0.69917400 0.41564200 1.0 P P8 1 0.17039100 0.68441800 0.90025800 1.0 P P9 1 0.00000000 0.50000000 0.50000000 1.0 P P10 1 0.31466300 0.30082600 0.58435800 1.0 P P11 1 0.82960900 0.31558200 0.09974200 1.0 P P12 1 0.69908100 0.24466700 0.55501100 1.0 P P13 1 0.20772900 0.23794900 0.06577000 1.0 O O14 1 0.41083600 0.90906700 0.62043600 1.0 O O15 1 0.91115600 0.90792400 0.11609200 1.0 O O16 1 0.30801400 0.86450600 0.02748700 1.0 O O17 1 0.81558800 0.87942200 0.54708500 1.0 O O18 1 0.72768100 0.81092000 0.78496900 1.0 O O19 1 0.22630600 0.78962900 0.28772800 1.0 O O20 1 0.64233300 0.69344000 0.23632900 1.0 O O21 1 0.12554000 0.66452800 0.70937100 1.0 O O22 1 0.58303300 0.64857400 0.90498000 1.0 O O23 1 0.10348300 0.62790800 0.42727400 1.0 O O24 1 0.46038800 0.64641400 0.42555000 1.0 O O25 1 0.93894500 0.64682300 0.90065100 1.0 O O26 1 0.23543400 0.54464200 0.94029000 1.0 O O27 1 0.77495000 0.56229600 0.45528100 1.0 O O28 1 0.76456600 0.45535800 0.05971000 1.0 O O29 1 0.22505000 0.43770400 0.54471900 1.0 O O30 1 0.53961200 0.35358600 0.57445000 1.0 O O31 1 0.06105500 0.35317700 0.09934900 1.0 O O32 1 0.41696700 0.35142600 0.09502000 1.0 O O33 1 0.89651700 0.37209200 0.57272600 1.0 O O34 1 0.35766700 0.30656000 0.76367100 1.0 O O35 1 0.87446000 0.33547200 0.29062900 1.0 O O36 1 0.27231900 0.18908000 0.21503100 1.0 O O37 1 0.77369400 0.21037100 0.71227200 1.0 O O38 1 0.69198600 0.13549400 0.97251300 1.0 O O39 1 0.18441200 0.12057800 0.45291500 1.0 O O40 1 0.58916400 0.09093300 0.37956400 1.0 O O41 1 0.08884400 0.09207600 0.88390800 1.0