# generated using pymatgen data_Mo3P3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49269400 _cell_length_b 7.89054662 _cell_length_c 12.83702478 _cell_angle_alpha 80.54432319 _cell_angle_beta 77.25057862 _cell_angle_gamma 81.86493769 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo3P3O16 _chemical_formula_sum 'Mo6 P6 O32' _cell_volume 628.92483483 _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 Mo Mo0 1 0.96922000 0.80053300 0.84689100 1.0 Mo Mo1 1 0.79347800 0.78489800 0.47092500 1.0 Mo Mo2 1 0.59988400 0.24734300 0.83913000 1.0 Mo Mo3 1 0.40011600 0.75265700 0.16087000 1.0 Mo Mo4 1 0.20652200 0.21510200 0.52907500 1.0 Mo Mo5 1 0.03078000 0.19946700 0.15310900 1.0 P P6 1 0.05364700 0.48741200 0.31572700 1.0 P P7 1 0.94635300 0.51258800 0.68427300 1.0 P P8 1 0.55767300 0.15611000 0.10845400 1.0 P P9 1 0.30984200 0.84961800 0.42327800 1.0 P P10 1 0.69015800 0.15038200 0.57672200 1.0 P P11 1 0.44232700 0.84389000 0.89154600 1.0 O O12 1 0.43983800 0.04056400 0.89168000 1.0 O O13 1 0.83488500 0.38883800 0.78214200 1.0 O O14 1 0.87861200 0.02101900 0.84417200 1.0 O O15 1 0.89571100 0.23020900 0.52020600 1.0 O O16 1 0.66155200 0.76188400 0.83965500 1.0 O O17 1 0.79331300 0.59950300 0.61192100 1.0 O O18 1 0.06440100 0.28688400 0.02139900 1.0 O O19 1 0.16511500 0.61116100 0.21785800 1.0 O O20 1 0.12138800 0.97898100 0.15582800 1.0 O O21 1 0.10428900 0.76979100 0.47979400 1.0 O O22 1 0.33844800 0.23811600 0.16034500 1.0 O O23 1 0.20668700 0.40049700 0.38807900 1.0 O O24 1 0.13690800 0.40485800 0.62029800 1.0 O O25 1 0.03918500 0.64485700 0.73353900 1.0 O O26 1 0.17972100 0.04850700 0.63180300 1.0 O O27 1 0.28192700 0.04805100 0.41709000 1.0 O O28 1 0.36923100 0.75830000 0.00947500 1.0 O O29 1 0.37843800 0.80714900 0.30681600 1.0 O O30 1 0.86309200 0.59514200 0.37970200 1.0 O O31 1 0.60736100 0.59753200 0.15947400 1.0 O O32 1 0.51438600 0.23402900 0.51399400 1.0 O O33 1 0.56016200 0.95943600 0.10832000 1.0 O O34 1 0.27770700 0.81686900 0.82641600 1.0 O O35 1 0.48561400 0.76597100 0.48600600 1.0 O O36 1 0.39263900 0.40246800 0.84052600 1.0 O O37 1 0.72229300 0.18313100 0.17358400 1.0 O O38 1 0.62156200 0.19285100 0.69318400 1.0 O O39 1 0.63076900 0.24170000 0.99052500 1.0 O O40 1 0.71807300 0.95194900 0.58291000 1.0 O O41 1 0.82027900 0.95149300 0.36819700 1.0 O O42 1 0.96081500 0.35514300 0.26646100 1.0 O O43 1 0.93559900 0.71311600 0.97860100 1.0