# generated using pymatgen data_Ni12Mo18P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74028215 _cell_length_b 7.74028215 _cell_length_c 18.83604734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni12Mo18P7 _chemical_formula_sum 'Ni24 Mo36 P14' _cell_volume 977.31370574 _cell_formula_units_Z 2 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 0.55732700 0.11465300 0.85690600 1.0 Ni Ni1 1 0.22494500 0.44988900 0.19373500 1.0 Ni Ni2 1 0.89321100 0.78642200 0.52993500 1.0 Ni Ni3 1 0.88534700 0.44267300 0.85690600 1.0 Ni Ni4 1 0.55011100 0.77505500 0.19373500 1.0 Ni Ni5 1 0.21357800 0.10678900 0.52993500 1.0 Ni Ni6 1 0.66666700 0.33333300 0.75361100 1.0 Ni Ni7 1 0.33333300 0.66666700 0.08489300 1.0 Ni Ni8 1 0.00000000 0.00000000 0.42020700 1.0 Ni Ni9 1 0.55732700 0.44267300 0.85690600 1.0 Ni Ni10 1 0.22494500 0.77505500 0.19373500 1.0 Ni Ni11 1 0.89321100 0.10678900 0.52993500 1.0 Ni Ni12 1 0.10715400 0.21430800 0.72353000 1.0 Ni Ni13 1 0.77506700 0.55013500 0.05576700 1.0 Ni Ni14 1 0.44204400 0.88408800 0.39025600 1.0 Ni Ni15 1 0.78569200 0.89284600 0.72353000 1.0 Ni Ni16 1 0.44986500 0.22493300 0.05576700 1.0 Ni Ni17 1 0.11591200 0.55795600 0.39025600 1.0 Ni Ni18 1 0.00000000 0.00000000 0.83072000 1.0 Ni Ni19 1 0.66666700 0.33333300 0.16473000 1.0 Ni Ni20 1 0.33333300 0.66666700 0.49595500 1.0 Ni Ni21 1 0.10715400 0.89284600 0.72353000 1.0 Ni Ni22 1 0.77506700 0.22493300 0.05576700 1.0 Ni Ni23 1 0.44204400 0.55795600 0.39025600 1.0 Mo Mo24 1 0.85899600 0.71799100 0.92817400 1.0 Mo Mo25 1 0.52620300 0.05240700 0.26359700 1.0 Mo Mo26 1 0.21162600 0.42325300 0.60610800 1.0 Mo Mo27 1 0.45508700 0.54491300 0.72482300 1.0 Mo Mo28 1 0.13959000 0.86041000 0.06945100 1.0 Mo Mo29 1 0.80840800 0.19159200 0.40375700 1.0 Mo Mo30 1 0.28200900 0.14100400 0.92817400 1.0 Mo Mo31 1 0.94759300 0.47379700 0.26359700 1.0 Mo Mo32 1 0.57674700 0.78837400 0.60610800 1.0 Mo Mo33 1 0.45508700 0.91017300 0.72482300 1.0 Mo Mo34 1 0.13959000 0.27918000 0.06945100 1.0 Mo Mo35 1 0.80840800 0.61681700 0.40375700 1.0 Mo Mo36 1 0.85899600 0.14100400 0.92817400 1.0 Mo Mo37 1 0.52620300 0.47379700 0.26359700 1.0 Mo Mo38 1 0.21162600 0.78837400 0.60610800 1.0 Mo Mo39 1 0.08982700 0.54491300 0.72482300 1.0 Mo Mo40 1 0.72082000 0.86041000 0.06945100 1.0 Mo Mo41 1 0.38318300 0.19159200 0.40375700 1.0 Mo Mo42 1 0.23736000 0.11868100 0.19099200 1.0 Mo Mo43 1 0.90992900 0.45496500 0.52762300 1.0 Mo Mo44 1 0.57090100 0.78545000 0.85533300 1.0 Mo Mo45 1 0.88131900 0.76264000 0.19099200 1.0 Mo Mo46 1 0.54503500 0.09007100 0.52762300 1.0 Mo Mo47 1 0.21455000 0.42909900 0.85533300 1.0 Mo Mo48 1 0.11950100 0.88049900 0.31030600 1.0 Mo Mo49 1 0.78666000 0.21334000 0.64466800 1.0 Mo Mo50 1 0.45343700 0.54656300 0.97468700 1.0 Mo Mo51 1 0.11950100 0.23900200 0.31030600 1.0 Mo Mo52 1 0.78666000 0.57332100 0.64466800 1.0 Mo Mo53 1 0.45343700 0.90687300 0.97468700 1.0 Mo Mo54 1 0.88131900 0.11868100 0.19099200 1.0 Mo Mo55 1 0.54503500 0.45496500 0.52762300 1.0 Mo Mo56 1 0.21455000 0.78545000 0.85533300 1.0 Mo Mo57 1 0.76099800 0.88049900 0.31030600 1.0 Mo Mo58 1 0.42667900 0.21334000 0.64466800 1.0 Mo Mo59 1 0.09312700 0.54656300 0.97468700 1.0 P P60 1 0.83297600 0.16702400 0.78821000 1.0 P P61 1 0.50168000 0.49832000 0.12418000 1.0 P P62 1 0.16798900 0.83201100 0.46213700 1.0 P P63 1 0.83297600 0.66595200 0.78821000 1.0 P P64 1 0.50168000 0.00335900 0.12418000 1.0 P P65 1 0.16798900 0.33597600 0.46213700 1.0 P P66 1 0.66666700 0.33333300 0.95727200 1.0 P P67 1 0.33333300 0.66666700 0.29393400 1.0 P P68 1 0.00000000 0.00000000 0.62673000 1.0 P P69 1 0.33404800 0.16702400 0.78821000 1.0 P P70 1 0.99664100 0.49832000 0.12418000 1.0 P P71 1 0.66402400 0.83201100 0.46213700 1.0 P P72 1 0.00000000 0.00000000 0.99817800 1.0 P P73 1 0.66666700 0.33333300 0.33457500 1.0