# generated using pymatgen data_Ni4(PO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13859600 _cell_length_b 9.57169600 _cell_length_c 16.29559900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4(PO4)3 _chemical_formula_sum 'Ni16 P12 O48' _cell_volume 957.47684033 _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 Ni Ni0 1 0.00000000 0.53350000 0.09173000 1.0 Ni Ni1 1 0.00000000 0.99056300 0.14143600 1.0 Ni Ni2 1 0.00000000 0.00943700 0.85856400 1.0 Ni Ni3 1 0.00000000 0.46650000 0.90827000 1.0 Ni Ni4 1 0.75150400 0.75151800 0.29639300 1.0 Ni Ni5 1 0.75150400 0.24848200 0.70360700 1.0 Ni Ni6 1 0.74849600 0.25151800 0.20360700 1.0 Ni Ni7 1 0.74849600 0.74848200 0.79639300 1.0 Ni Ni8 1 0.50000000 0.96650000 0.59173000 1.0 Ni Ni9 1 0.50000000 0.03350000 0.40827000 1.0 Ni Ni10 1 0.50000000 0.49056300 0.35856400 1.0 Ni Ni11 1 0.50000000 0.50943700 0.64143600 1.0 Ni Ni12 1 0.25150400 0.74848200 0.79639300 1.0 Ni Ni13 1 0.25150400 0.25151800 0.20360700 1.0 Ni Ni14 1 0.24849600 0.75151800 0.29639300 1.0 Ni Ni15 1 0.24849600 0.24848200 0.70360700 1.0 P P16 1 0.00000000 0.20647300 0.03586500 1.0 P P17 1 0.00000000 0.04335500 0.33914900 1.0 P P18 1 0.00000000 0.45373500 0.28173400 1.0 P P19 1 0.00000000 0.54626500 0.71826600 1.0 P P20 1 0.00000000 0.95664500 0.66085100 1.0 P P21 1 0.00000000 0.79352700 0.96413500 1.0 P P22 1 0.50000000 0.95373500 0.21826600 1.0 P P23 1 0.50000000 0.29352700 0.53586500 1.0 P P24 1 0.50000000 0.54335500 0.16085100 1.0 P P25 1 0.50000000 0.70647300 0.46413500 1.0 P P26 1 0.50000000 0.04626500 0.78173400 1.0 P P27 1 0.50000000 0.45664500 0.83914900 1.0 O O28 1 0.00000000 0.36619200 0.01971200 1.0 O O29 1 0.00000000 0.11553500 0.24904500 1.0 O O30 1 0.00000000 0.39357800 0.18887500 1.0 O O31 1 0.00000000 0.86497300 0.04648900 1.0 O O32 1 0.00000000 0.61506000 0.27529900 1.0 O O33 1 0.00000000 0.11849700 0.67243400 1.0 O O34 1 0.00000000 0.88150300 0.32756600 1.0 O O35 1 0.00000000 0.38494000 0.72470100 1.0 O O36 1 0.00000000 0.13502700 0.95351100 1.0 O O37 1 0.00000000 0.60642200 0.81112500 1.0 O O38 1 0.00000000 0.88446500 0.75095500 1.0 O O39 1 0.00000000 0.63380800 0.98028800 1.0 O O40 1 0.79625200 0.09083900 0.38429000 1.0 O O41 1 0.79625200 0.90916100 0.61571000 1.0 O O42 1 0.80190300 0.15979000 0.09082900 1.0 O O43 1 0.80190300 0.84021000 0.90917100 1.0 O O44 1 0.78600300 0.39221100 0.31542200 1.0 O O45 1 0.78600300 0.60778900 0.68457800 1.0 O O46 1 0.71399700 0.89221100 0.18457800 1.0 O O47 1 0.71399700 0.10778900 0.81542200 1.0 O O48 1 0.69809700 0.34021000 0.59082900 1.0 O O49 1 0.69809700 0.65979000 0.40917100 1.0 O O50 1 0.70374800 0.40916100 0.88429000 1.0 O O51 1 0.70374800 0.59083900 0.11571000 1.0 O O52 1 0.50000000 0.38150300 0.17243400 1.0 O O53 1 0.50000000 0.36497300 0.45351100 1.0 O O54 1 0.50000000 0.13380800 0.51971200 1.0 O O55 1 0.50000000 0.11506000 0.22470100 1.0 O O56 1 0.50000000 0.86619200 0.48028800 1.0 O O57 1 0.50000000 0.63502700 0.54648900 1.0 O O58 1 0.50000000 0.88494000 0.77529900 1.0 O O59 1 0.50000000 0.61553500 0.25095500 1.0 O O60 1 0.50000000 0.89357800 0.31112500 1.0 O O61 1 0.50000000 0.10642200 0.68887500 1.0 O O62 1 0.50000000 0.38446500 0.74904500 1.0 O O63 1 0.50000000 0.61849700 0.82756600 1.0 O O64 1 0.29625200 0.59083900 0.11571000 1.0 O O65 1 0.29625200 0.40916100 0.88429000 1.0 O O66 1 0.30190300 0.65979000 0.40917100 1.0 O O67 1 0.30190300 0.34021000 0.59082900 1.0 O O68 1 0.28600300 0.89221100 0.18457800 1.0 O O69 1 0.28600300 0.10778900 0.81542200 1.0 O O70 1 0.21399700 0.60778900 0.68457800 1.0 O O71 1 0.21399700 0.39221100 0.31542200 1.0 O O72 1 0.19809700 0.15979000 0.09082900 1.0 O O73 1 0.19809700 0.84021000 0.90917100 1.0 O O74 1 0.20374800 0.09083900 0.38429000 1.0 O O75 1 0.20374800 0.90916100 0.61571000 1.0