# generated using pymatgen data_Ni15Mo17P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03780200 _cell_length_b 7.05802033 _cell_length_c 13.33494658 _cell_angle_alpha 98.52020682 _cell_angle_beta 92.95361430 _cell_angle_gamma 119.70458546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni15Mo17P12 _chemical_formula_sum 'Ni15 Mo17 P12' _cell_volume 562.94246181 _cell_formula_units_Z 1 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 Ni Ni0 1 0.78119800 0.16864700 0.74884000 1.0 Ni Ni1 1 0.77992400 0.66681700 0.24931000 1.0 Ni Ni2 1 0.22007600 0.33318300 0.75069000 1.0 Ni Ni3 1 0.21880200 0.83135300 0.25116000 1.0 Ni Ni4 1 0.36497800 0.03394800 0.74948200 1.0 Ni Ni5 1 0.36451700 0.53314800 0.24891600 1.0 Ni Ni6 1 0.63548300 0.46685200 0.75108400 1.0 Ni Ni7 1 0.63502200 0.96605200 0.25051800 1.0 Ni Ni8 1 0.50053900 0.74855800 0.74900500 1.0 Ni Ni9 1 0.49946100 0.25144200 0.25099500 1.0 Ni Ni10 1 0.64430100 0.29624100 0.91561900 1.0 Ni Ni11 1 0.64375000 0.79550100 0.41534200 1.0 Ni Ni12 1 0.35625000 0.20449900 0.58465800 1.0 Ni Ni13 1 0.35569900 0.70375900 0.08438100 1.0 Ni Ni14 1 0.00000000 0.50000000 0.50000000 1.0 Mo Mo15 1 0.94162500 0.91503300 0.77779300 1.0 Mo Mo16 1 0.94174200 0.41312400 0.28567500 1.0 Mo Mo17 1 0.05825800 0.58687600 0.71432500 1.0 Mo Mo18 1 0.05837500 0.08496700 0.22220700 1.0 Mo Mo19 1 0.70328600 0.63134300 0.57893800 1.0 Mo Mo20 1 0.69862800 0.13358000 0.08149500 1.0 Mo Mo21 1 0.30137200 0.86642000 0.91850500 1.0 Mo Mo22 1 0.29671400 0.36865700 0.42106200 1.0 Mo Mo23 1 0.43154100 0.85154800 0.57055300 1.0 Mo Mo24 1 0.44110000 0.35784300 0.07217900 1.0 Mo Mo25 1 0.55890000 0.64215700 0.92782100 1.0 Mo Mo26 1 0.56845900 0.14845200 0.42944700 1.0 Mo Mo27 1 0.07569000 0.39128100 0.92391600 1.0 Mo Mo28 1 0.07521100 0.88405900 0.42475100 1.0 Mo Mo29 1 0.92478900 0.11594100 0.57524900 1.0 Mo Mo30 1 0.92431000 0.60871900 0.07608400 1.0 Mo Mo31 1 0.00000000 0.00000000 0.00000000 1.0 P P32 1 0.70193600 0.01532700 0.88874500 1.0 P P33 1 0.70819400 0.51733700 0.39290600 1.0 P P34 1 0.29180600 0.48266300 0.60709400 1.0 P P35 1 0.29806400 0.98467300 0.11125500 1.0 P P36 1 0.29868600 0.21553900 0.88355700 1.0 P P37 1 0.29897000 0.71644800 0.38613600 1.0 P P38 1 0.70103000 0.28355200 0.61386400 1.0 P P39 1 0.70131400 0.78446100 0.11644300 1.0 P P40 1 0.09696300 0.88133100 0.61507300 1.0 P P41 1 0.09715400 0.38231000 0.11835800 1.0 P P42 1 0.90284600 0.61769000 0.88164200 1.0 P P43 1 0.90303700 0.11866900 0.38492700 1.0