# generated using pymatgen data_Mo2PO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37262200 _cell_length_b 6.66591700 _cell_length_c 17.62394947 _cell_angle_alpha 89.81948042 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2PO8 _chemical_formula_sum 'Mo8 P4 O32' _cell_volume 631.17134151 _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 Mo Mo0 1 0.22691900 0.66283100 0.95658700 1.0 Mo Mo1 1 0.22997400 0.83668400 0.45678900 1.0 Mo Mo2 1 0.22716500 0.00371100 0.12738300 1.0 Mo Mo3 1 0.23016400 0.49562400 0.62844400 1.0 Mo Mo4 1 0.73016400 0.50437600 0.37155600 1.0 Mo Mo5 1 0.72691900 0.33716900 0.04341300 1.0 Mo Mo6 1 0.72997400 0.16331600 0.54321100 1.0 Mo Mo7 1 0.72716500 0.99628900 0.87261700 1.0 P P8 1 0.23260100 0.19573500 0.31241000 1.0 P P9 1 0.21622600 0.30370800 0.81358900 1.0 P P10 1 0.71622600 0.69629200 0.18641100 1.0 P P11 1 0.73260100 0.80426500 0.68759000 1.0 O O12 1 0.45582800 0.48670800 0.00390200 1.0 O O13 1 0.50181100 0.81705000 0.91199400 1.0 O O14 1 0.22677400 0.84088000 0.03989800 1.0 O O15 1 0.46222200 0.79791200 0.17489100 1.0 O O16 1 0.73412700 0.99548600 0.63790600 1.0 O O17 1 0.48585800 0.99539700 0.49961500 1.0 O O18 1 0.72162300 0.86573700 0.77170200 1.0 O O19 1 0.99310000 0.84712200 0.90402700 1.0 O O20 1 0.23412700 0.00451400 0.36209400 1.0 O O21 1 0.98585800 0.00460300 0.50038500 1.0 O O22 1 0.22162300 0.13426300 0.22829800 1.0 O O23 1 0.49310000 0.15287800 0.09597300 1.0 O O24 1 0.43331900 0.16516900 0.83436400 1.0 O O25 1 0.00181100 0.18295000 0.08800600 1.0 O O26 1 0.72677400 0.15912000 0.96010200 1.0 O O27 1 0.96222200 0.20208800 0.82510900 1.0 O O28 1 0.00018600 0.32036900 0.32997400 1.0 O O29 1 0.50018600 0.67963100 0.67002600 1.0 O O30 1 0.47075600 0.32833900 0.59103700 1.0 O O31 1 0.72753100 0.34022800 0.45917600 1.0 O O32 1 0.97832000 0.33614100 0.59341900 1.0 O O33 1 0.23932300 0.36072200 0.72906700 1.0 O O34 1 0.47344500 0.31451100 0.32520500 1.0 O O35 1 0.72809500 0.50337400 0.13803900 1.0 O O36 1 0.22809500 0.49662600 0.86196100 1.0 O O37 1 0.95582800 0.51329200 0.99609800 1.0 O O38 1 0.73932300 0.63927800 0.27093300 1.0 O O39 1 0.47832000 0.66385900 0.40658100 1.0 O O40 1 0.22753100 0.65977200 0.54082400 1.0 O O41 1 0.97075600 0.67166100 0.40896300 1.0 O O42 1 0.97344500 0.68548900 0.67479500 1.0 O O43 1 0.93331900 0.83483100 0.16563600 1.0