# generated using pymatgen data_Ni7(PO4)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36562900 _cell_length_b 7.94785066 _cell_length_c 9.37397943 _cell_angle_alpha 104.90559194 _cell_angle_beta 108.10608031 _cell_angle_gamma 101.15954982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni7(PO4)6 _chemical_formula_sum 'Ni7 P6 O24' _cell_volume 415.84907303 _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 Ni Ni0 1 0.95513100 0.28630000 0.48136200 1.0 Ni Ni1 1 0.72982600 0.20095000 0.71791300 1.0 Ni Ni2 1 0.38497200 0.45661200 0.11015100 1.0 Ni Ni3 1 0.61502800 0.54338800 0.88984900 1.0 Ni Ni4 1 0.27017400 0.79905000 0.28208700 1.0 Ni Ni5 1 0.04486900 0.71370000 0.51863800 1.0 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1.0 P P7 1 0.90592500 0.40404300 0.16629400 1.0 P P8 1 0.77201600 0.85753200 0.22903100 1.0 P P9 1 0.40310200 0.23267700 0.37357000 1.0 P P10 1 0.59689800 0.76732300 0.62643000 1.0 P P11 1 0.22798400 0.14246800 0.77096900 1.0 P P12 1 0.09407500 0.59595700 0.83370600 1.0 O O13 1 0.88452400 0.20816500 0.07978900 1.0 O O14 1 0.92994600 0.44566000 0.34284100 1.0 O O15 1 0.79095200 0.05932000 0.29318400 1.0 O O16 1 0.98339500 0.81281400 0.33367400 1.0 O O17 1 0.77548400 0.81343600 0.05757000 1.0 O O18 1 0.68983700 0.45821400 0.08239800 1.0 O O19 1 0.87698400 0.46794200 0.83709700 1.0 O O20 1 0.63191500 0.23302400 0.49890100 1.0 O O21 1 0.74040200 0.71478500 0.52711000 1.0 O O22 1 0.54426100 0.74327600 0.22942700 1.0 O O23 1 0.45813700 0.36712600 0.29179300 1.0 O O24 1 0.27615400 0.03925400 0.24307900 1.0 O O25 1 0.72384600 0.96074600 0.75692100 1.0 O O26 1 0.54186300 0.63287400 0.70820700 1.0 O O27 1 0.45573900 0.25672400 0.77057300 1.0 O O28 1 0.25959800 0.28521500 0.47289000 1.0 O O29 1 0.36808500 0.76697600 0.50109900 1.0 O O30 1 0.12301600 0.53205800 0.16290300 1.0 O O31 1 0.31016300 0.54178600 0.91760200 1.0 O O32 1 0.22451600 0.18656400 0.94243000 1.0 O O33 1 0.01660500 0.18718600 0.66632600 1.0 O O34 1 0.20904800 0.94068000 0.70681600 1.0 O O35 1 0.07005400 0.55434000 0.65715900 1.0 O O36 1 0.11547600 0.79183500 0.92021100 1.0