# generated using pymatgen data_Mo(PO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.12994300 _cell_length_b 7.65524000 _cell_length_c 12.11260187 _cell_angle_alpha 50.73025348 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo(PO3)4 _chemical_formula_sum 'Mo4 P16 O48' _cell_volume 942.53607116 _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 0.22629100 0.89521700 0.01517500 1.0 Mo Mo1 1 0.77370900 0.10478300 0.98482500 1.0 Mo Mo2 1 0.27370900 0.89521700 0.51517500 1.0 Mo Mo3 1 0.72629100 0.10478300 0.48482500 1.0 P P4 1 0.13438200 0.97861200 0.73024400 1.0 P P5 1 0.57949300 0.47566900 0.22496800 1.0 P P6 1 0.07949300 0.52433100 0.27503200 1.0 P P7 1 0.63438200 0.02138800 0.76975600 1.0 P P8 1 0.92050700 0.47566900 0.72496800 1.0 P P9 1 0.64270000 0.62931000 0.78092300 1.0 P P10 1 0.41217700 0.16828000 0.74283700 1.0 P P11 1 0.86561800 0.02138800 0.26975600 1.0 P P12 1 0.58782300 0.83172000 0.25716300 1.0 P P13 1 0.35730000 0.37069000 0.21907700 1.0 P P14 1 0.36561800 0.97861200 0.23024400 1.0 P P15 1 0.08782300 0.16828000 0.24283700 1.0 P P16 1 0.14270000 0.37069000 0.71907700 1.0 P P17 1 0.85730000 0.62931000 0.28092300 1.0 P P18 1 0.42050700 0.52433100 0.77503200 1.0 P P19 1 0.91217700 0.83172000 0.75716300 1.0 O O20 1 0.15298100 0.41103600 0.39192200 1.0 O O21 1 0.60108200 0.22859100 0.35984500 1.0 O O22 1 0.89891800 0.22859100 0.85984500 1.0 O O23 1 0.03089900 0.46835500 0.66896600 1.0 O O24 1 0.39891800 0.77140900 0.64015500 1.0 O O25 1 0.84512000 0.76576600 0.34007100 1.0 O O26 1 0.48197100 0.97748900 0.20002000 1.0 O O27 1 0.10108200 0.77140900 0.14015500 1.0 O O28 1 0.65298100 0.58896400 0.10807800 1.0 O O29 1 0.21627800 0.56270300 0.63599700 1.0 O O30 1 0.84796600 0.97281400 0.62019900 1.0 O O31 1 0.19449100 0.91575100 0.65419000 1.0 O O32 1 0.96910100 0.53164500 0.33103400 1.0 O O33 1 0.34875500 0.20936200 0.37953200 1.0 O O34 1 0.30550900 0.91575100 0.15419000 1.0 O O35 1 0.15203400 0.02718600 0.37980100 1.0 O O36 1 0.51802900 0.02251100 0.79998000 1.0 O O37 1 0.01802900 0.97748900 0.70002000 1.0 O O38 1 0.53089900 0.53164500 0.83103400 1.0 O O39 1 0.34302200 0.83286900 0.38937500 1.0 O O40 1 0.80550900 0.08424900 0.34581000 1.0 O O41 1 0.69449100 0.08424900 0.84581000 1.0 O O42 1 0.37349000 0.21522400 0.61310200 1.0 O O43 1 0.71627800 0.43729700 0.86400300 1.0 O O44 1 0.28372200 0.56270300 0.13599700 1.0 O O45 1 0.65488000 0.76576600 0.84007100 1.0 O O46 1 0.44927900 0.39400800 0.71456100 1.0 O O47 1 0.15697800 0.83286900 0.88937500 1.0 O O48 1 0.15488000 0.23423400 0.65992900 1.0 O O49 1 0.84875500 0.79063800 0.12046800 1.0 O O50 1 0.62651000 0.78477600 0.38689800 1.0 O O51 1 0.78372200 0.43729700 0.36400300 1.0 O O52 1 0.94927900 0.60599200 0.78543900 1.0 O O53 1 0.65124500 0.79063800 0.62046800 1.0 O O54 1 0.84701900 0.58896400 0.60807800 1.0 O O55 1 0.05072100 0.39400800 0.21456100 1.0 O O56 1 0.87349000 0.78477600 0.88689800 1.0 O O57 1 0.65697800 0.16713100 0.61062500 1.0 O O58 1 0.84302200 0.16713100 0.11062500 1.0 O O59 1 0.55072100 0.60599200 0.28543900 1.0 O O60 1 0.46910100 0.46835500 0.16896600 1.0 O O61 1 0.15124500 0.20936200 0.87953200 1.0 O O62 1 0.12651000 0.21522400 0.11310200 1.0 O O63 1 0.34701900 0.41103600 0.89192200 1.0 O O64 1 0.98197100 0.02251100 0.29998000 1.0 O O65 1 0.34796600 0.02718600 0.87980100 1.0 O O66 1 0.34512000 0.23423400 0.15992900 1.0 O O67 1 0.65203400 0.97281400 0.12019900 1.0