# generated using pymatgen data_MoP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29701429 _cell_length_b 8.89125680 _cell_length_c 12.20805979 _cell_angle_alpha 76.59967023 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MoP2O7 _chemical_formula_sum 'Mo4 P8 O28' _cell_volume 559.31071982 _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 0.24654400 0.76312419 0.96531041 1.0 Mo Mo1 1 0.74654400 0.73687581 0.53468959 1.0 Mo Mo2 1 0.25345600 0.26312419 0.46531041 1.0 Mo Mo3 1 0.75345600 0.23687581 0.03468959 1.0 P P4 1 0.73881011 0.57056028 0.11726118 1.0 P P5 1 0.26118989 0.42943972 0.88273882 1.0 P P6 1 0.25936542 0.52418492 0.63878600 1.0 P P7 1 0.23881011 0.92943972 0.38273882 1.0 P P8 1 0.24063458 0.02418492 0.13878600 1.0 P P9 1 0.76118989 0.07056028 0.61726118 1.0 P P10 1 0.75936542 0.97581508 0.86121400 1.0 P P11 1 0.74063458 0.47581508 0.36121400 1.0 O O12 1 0.94600167 0.66526916 0.05045093 1.0 O O13 1 0.00982257 0.89630082 0.85480666 1.0 O O14 1 0.54104554 0.86297729 0.87721865 1.0 O O15 1 0.73665113 0.89929771 0.62437775 1.0 O O16 1 0.99017743 0.10369918 0.14519334 1.0 O O17 1 0.45895446 0.13702271 0.12278135 1.0 O O18 1 0.26334887 0.10070229 0.37562225 1.0 O O19 1 0.01923553 0.13256705 0.57931434 1.0 O O20 1 0.72277536 0.09227319 0.74210002 1.0 O O21 1 0.55399833 0.16526916 0.55045093 1.0 O O22 1 0.75382944 0.07299621 0.94645198 1.0 O O23 1 0.76334887 0.39929771 0.12437775 1.0 O O24 1 0.95895446 0.36297729 0.37721865 1.0 O O25 1 0.49017743 0.39630082 0.35480666 1.0 O O26 1 0.25382944 0.42700379 0.55354802 1.0 O O27 1 0.05399833 0.33473084 0.94954907 1.0 O O28 1 0.48076447 0.63256705 0.07931434 1.0 O O29 1 0.27722464 0.90772681 0.25789998 1.0 O O30 1 0.77722464 0.59227319 0.24210002 1.0 O O31 1 0.51923553 0.36743295 0.92068566 1.0 O O32 1 0.22277536 0.40772681 0.75789998 1.0 O O33 1 0.74617056 0.57299621 0.44645198 1.0 O O34 1 0.50982257 0.60369918 0.64519334 1.0 O O35 1 0.04104554 0.63702271 0.62278135 1.0 O O36 1 0.23665113 0.60070229 0.87562225 1.0 O O37 1 0.24617056 0.92700379 0.05354802 1.0 O O38 1 0.44600167 0.83473084 0.44954907 1.0 O O39 1 0.98076447 0.86743295 0.42068566 1.0