# generated using pymatgen data_Mo(PO3)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.02648300 _cell_length_b 9.40007900 _cell_length_c 10.65215318 _cell_angle_alpha 69.28445226 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo(PO3)5 _chemical_formula_sum 'Mo4 P20 O60' _cell_volume 1313.68413251 _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 0.00016400 0.49923300 0.25070800 1.0 Mo Mo1 1 0.99983600 0.50076700 0.74929200 1.0 Mo Mo2 1 0.49983600 0.49923300 0.75070800 1.0 Mo Mo3 1 0.50016400 0.50076700 0.24929200 1.0 P P4 1 0.74793000 0.99506300 0.48143600 1.0 P P5 1 0.85609100 0.47413300 0.50821200 1.0 P P6 1 0.35777100 0.52335100 0.49118300 1.0 P P7 1 0.91678900 0.17928900 0.48525800 1.0 P P8 1 0.25207000 0.00493700 0.51856400 1.0 P P9 1 0.08321100 0.82071100 0.51474200 1.0 P P10 1 0.64222900 0.47664900 0.50881700 1.0 P P11 1 0.92323500 0.18252400 0.99070300 1.0 P P12 1 0.41678900 0.82071100 0.01474200 1.0 P P13 1 0.14390900 0.52586700 0.49178800 1.0 P P14 1 0.75207000 0.99506300 0.98143600 1.0 P P15 1 0.24793000 0.00493700 0.01856400 1.0 P P16 1 0.35609100 0.52586700 0.99178800 1.0 P P17 1 0.58321100 0.17928900 0.98525800 1.0 P P18 1 0.42323500 0.81747600 0.50929700 1.0 P P19 1 0.64390900 0.47413300 0.00821200 1.0 P P20 1 0.85777100 0.47664900 0.00881700 1.0 P P21 1 0.07676500 0.81747600 0.00929700 1.0 P P22 1 0.57676500 0.18252400 0.49070300 1.0 P P23 1 0.14222900 0.52335100 0.99118300 1.0 O O24 1 0.24553400 0.07816100 0.36794000 1.0 O O25 1 0.35255900 0.70248800 0.96334000 1.0 O O26 1 0.52764100 0.28312400 0.86128500 1.0 O O27 1 0.62148400 0.50124100 0.13779100 1.0 O O28 1 0.03256200 0.92958400 0.40139100 1.0 O O29 1 0.25446600 0.07816100 0.86794000 1.0 O O30 1 0.14319000 0.70061800 0.95967500 1.0 O O31 1 0.64319000 0.29938200 0.54032500 1.0 O O32 1 0.25068800 0.47163000 0.53361600 1.0 O O33 1 0.15894900 0.89234100 0.06959800 1.0 O O34 1 0.96743800 0.07041600 0.59860900 1.0 O O35 1 0.87893400 0.50570500 0.13782000 1.0 O O36 1 0.16668000 0.88588700 0.58254900 1.0 O O37 1 0.47235900 0.71687600 0.13871500 1.0 O O38 1 0.12106600 0.49429500 0.86218000 1.0 O O39 1 0.35681000 0.70061800 0.45967500 1.0 O O40 1 0.58148100 0.55927200 0.89015200 1.0 O O41 1 0.64744100 0.29751200 0.03666000 1.0 O O42 1 0.62106600 0.50570500 0.63782000 1.0 O O43 1 0.85255900 0.29751200 0.53666000 1.0 O O44 1 0.97235900 0.28312400 0.36128500 1.0 O O45 1 0.58038700 0.56145700 0.38990200 1.0 O O46 1 0.47389100 0.71476800 0.63845300 1.0 O O47 1 0.52610900 0.28523200 0.36154700 1.0 O O48 1 0.08148100 0.44072800 0.60984800 1.0 O O49 1 0.74931200 0.52837000 0.46638400 1.0 O O50 1 0.25459100 0.12607100 0.58115600 1.0 O O51 1 0.84105100 0.10765900 0.93040200 1.0 O O52 1 0.65894900 0.10765900 0.43040200 1.0 O O53 1 0.85681000 0.29938200 0.04032500 1.0 O O54 1 0.75068800 0.52837000 0.96638400 1.0 O O55 1 0.08038700 0.43854300 0.11009800 1.0 O O56 1 0.74540900 0.87392900 0.41884400 1.0 O O57 1 0.46743800 0.92958400 0.90139100 1.0 O O58 1 0.66668000 0.11411300 0.91745100 1.0 O O59 1 0.87851600 0.50124100 0.63779100 1.0 O O60 1 0.52066300 0.08110600 0.60264500 1.0 O O61 1 0.02066300 0.91889400 0.89735500 1.0 O O62 1 0.91961300 0.56145700 0.88990200 1.0 O O63 1 0.75459100 0.87392900 0.91884400 1.0 O O64 1 0.74553400 0.92183900 0.13206000 1.0 O O65 1 0.24931200 0.47163000 0.03361600 1.0 O O66 1 0.37851600 0.49875900 0.86220900 1.0 O O67 1 0.33332000 0.88588700 0.08254900 1.0 O O68 1 0.75446600 0.92183900 0.63206000 1.0 O O69 1 0.34105100 0.89234100 0.56959800 1.0 O O70 1 0.47933700 0.91889400 0.39735500 1.0 O O71 1 0.83332000 0.11411300 0.41745100 1.0 O O72 1 0.02610900 0.71476800 0.13845300 1.0 O O73 1 0.41961300 0.43854300 0.61009800 1.0 O O74 1 0.41851900 0.44072800 0.10984800 1.0 O O75 1 0.97933700 0.08110600 0.10264500 1.0 O O76 1 0.97389100 0.28523200 0.86154700 1.0 O O77 1 0.02764100 0.71687600 0.63871500 1.0 O O78 1 0.12148400 0.49875900 0.36220900 1.0 O O79 1 0.53256200 0.07041600 0.09860900 1.0 O O80 1 0.91851900 0.55927200 0.39015200 1.0 O O81 1 0.37893400 0.49429500 0.36218000 1.0 O O82 1 0.14744100 0.70248800 0.46334000 1.0 O O83 1 0.24540900 0.12607100 0.08115600 1.0