# generated using pymatgen data_Ni5(P3O11)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48571200 _cell_length_b 10.26133300 _cell_length_c 12.62051650 _cell_angle_alpha 74.92456994 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni5(P3O11)2 _chemical_formula_sum 'Ni10 P12 O44' _cell_volume 811.01473525 _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 0.75997200 0.21299800 0.13466100 1.0 Ni Ni1 1 0.74002800 0.71299800 0.13466100 1.0 Ni Ni2 1 0.98815100 0.19628100 0.33718000 1.0 Ni Ni3 1 0.51184900 0.69628100 0.33718000 1.0 Ni Ni4 1 0.48815100 0.30371900 0.66282000 1.0 Ni Ni5 1 0.01184900 0.80371900 0.66282000 1.0 Ni Ni6 1 0.25997200 0.28700200 0.86533900 1.0 Ni Ni7 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni8 1 0.24002800 0.78700200 0.86533900 1.0 Ni Ni9 1 0.50000000 0.50000000 0.00000000 1.0 P P10 1 0.39636500 0.57358400 0.74919400 1.0 P P11 1 0.10363500 0.07358400 0.74919400 1.0 P P12 1 0.71127200 0.58658900 0.58329600 1.0 P P13 1 0.21127200 0.91341100 0.41670400 1.0 P P14 1 0.78872800 0.08658900 0.58329600 1.0 P P15 1 0.76671600 0.27434300 0.91795100 1.0 P P16 1 0.28872800 0.41341100 0.41670400 1.0 P P17 1 0.89636500 0.92641600 0.25080600 1.0 P P18 1 0.60363500 0.42641600 0.25080600 1.0 P P19 1 0.23328400 0.72565700 0.08204900 1.0 P P20 1 0.73328400 0.77434300 0.91795100 1.0 P P21 1 0.26671600 0.22565700 0.08204900 1.0 O O22 1 0.45761500 0.17636700 0.14926100 1.0 O O23 1 0.79323000 0.13425400 0.01169000 1.0 O O24 1 0.72314300 0.35864200 0.00698600 1.0 O O25 1 0.70677000 0.63425400 0.01169000 1.0 O O26 1 0.77685700 0.85864200 0.00698600 1.0 O O27 1 0.07951900 0.23293100 0.15393000 1.0 O O28 1 0.44767300 0.44772300 0.15783500 1.0 O O29 1 0.80271100 0.06216000 0.26234100 1.0 O O30 1 0.04238500 0.67636700 0.14926100 1.0 O O31 1 0.42048100 0.73293100 0.15393000 1.0 O O32 1 0.20677000 0.86574600 0.98831000 1.0 O O33 1 0.27685700 0.64135800 0.99301400 1.0 O O34 1 0.29323000 0.36574600 0.98831000 1.0 O O35 1 0.22314300 0.14135800 0.99301400 1.0 O O36 1 0.54238500 0.82363300 0.85073900 1.0 O O37 1 0.92048100 0.76706900 0.84607000 1.0 O O38 1 0.19217800 0.85852800 0.54062400 1.0 O O39 1 0.19728900 0.93784000 0.73765900 1.0 O O40 1 0.95761500 0.32363300 0.85073900 1.0 O O41 1 0.57951900 0.26706900 0.84607000 1.0 O O42 1 0.22769400 0.67554600 0.76045300 1.0 O O43 1 0.94767300 0.05227700 0.84216500 1.0 O O44 1 0.30271100 0.43784000 0.73765900 1.0 O O45 1 0.79053200 0.93165500 0.61850500 1.0 O O46 1 0.27230600 0.17554600 0.76045300 1.0 O O47 1 0.50363700 0.63820400 0.63503400 1.0 O O48 1 0.89525200 0.64438600 0.62927200 1.0 O O49 1 0.77230600 0.32445400 0.23954700 1.0 O O50 1 0.70946800 0.43165500 0.61850500 1.0 O O51 1 0.99636300 0.13820400 0.63503400 1.0 O O52 1 0.60474800 0.14438600 0.62927200 1.0 O O53 1 0.30782200 0.35852800 0.54062400 1.0 O O54 1 0.69217800 0.64147200 0.45937600 1.0 O O55 1 0.39525200 0.85561400 0.37072800 1.0 O O56 1 0.00363700 0.86179600 0.36496600 1.0 O O57 1 0.29053200 0.56834500 0.38149500 1.0 O O58 1 0.80782200 0.14147200 0.45937600 1.0 O O59 1 0.10474800 0.35561400 0.37072800 1.0 O O60 1 0.49636300 0.36179600 0.36496600 1.0 O O61 1 0.72769400 0.82445400 0.23954700 1.0 O O62 1 0.20946800 0.06834500 0.38149500 1.0 O O63 1 0.69728900 0.56216000 0.26234100 1.0 O O64 1 0.05232700 0.94772300 0.15783500 1.0 O O65 1 0.55232700 0.55227700 0.84216500 1.0