# generated using pymatgen data_Mn8(Al9Zn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78028400 _cell_length_b 12.56986607 _cell_length_c 12.29851800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 108.02799083 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8(Al9Zn)3 _chemical_formula_sum 'Mn16 Al54 Zn6' _cell_volume 1143.71077483 _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 Mn Mn0 1 0.64038300 0.28076500 0.05127800 1.0 Mn Mn1 1 0.35961700 0.71923500 0.94872200 1.0 Mn Mn2 1 0.35961700 0.71923500 0.55127800 1.0 Mn Mn3 1 0.64038300 0.28076500 0.44872200 1.0 Mn Mn4 1 0.45854100 0.91708100 0.25000000 1.0 Mn Mn5 1 0.54145900 0.08291900 0.75000000 1.0 Mn Mn6 1 0.08581800 0.17163700 0.58806700 1.0 Mn Mn7 1 0.91418200 0.82836300 0.41193300 1.0 Mn Mn8 1 0.91418200 0.82836300 0.08806700 1.0 Mn Mn9 1 0.08581800 0.17163700 0.91193300 1.0 Mn Mn10 1 0.44529500 0.56557700 0.25000000 1.0 Mn Mn11 1 0.55470500 0.43442300 0.75000000 1.0 Mn Mn12 1 0.12028200 0.56557700 0.25000000 1.0 Mn Mn13 1 0.87971800 0.43442300 0.75000000 1.0 Mn Mn14 1 0.08209800 0.16419600 0.25000000 1.0 Mn Mn15 1 0.91790200 0.83580400 0.75000000 1.0 Al Al16 1 0.36139900 0.72279800 0.14893500 1.0 Al Al17 1 0.63860100 0.27720200 0.85106500 1.0 Al Al18 1 0.63860100 0.27720200 0.64893500 1.0 Al Al19 1 0.36139900 0.72279800 0.35106500 1.0 Al Al20 1 0.31720600 0.22103500 0.11672900 1.0 Al Al21 1 0.68279400 0.77896500 0.88327100 1.0 Al Al22 1 0.68279400 0.77896500 0.61672900 1.0 Al Al23 1 0.90383000 0.22103500 0.38327100 1.0 Al Al24 1 0.31720600 0.22103500 0.38327100 1.0 Al Al25 1 0.09617000 0.77896500 0.61672900 1.0 Al Al26 1 0.09617000 0.77896500 0.88327100 1.0 Al Al27 1 0.90383000 0.22103500 0.11672900 1.0 Al Al28 1 0.54114200 0.43705400 0.13134900 1.0 Al Al29 1 0.45885800 0.56294600 0.86865100 1.0 Al Al30 1 0.45885800 0.56294600 0.63134900 1.0 Al Al31 1 0.89591200 0.43705400 0.36865100 1.0 Al Al32 1 0.54114200 0.43705400 0.36865100 1.0 Al Al33 1 0.10408800 0.56294600 0.63134900 1.0 Al Al34 1 0.10408800 0.56294600 0.86865100 1.0 Al Al35 1 0.89591200 0.43705400 0.13134900 1.0 Al Al36 1 0.53995100 0.07990300 0.12470800 1.0 Al Al37 1 0.46004900 0.92009700 0.87529200 1.0 Al Al38 1 0.46004900 0.92009700 0.62470800 1.0 Al Al39 1 0.53995100 0.07990300 0.37529200 1.0 Al Al40 1 0.63579100 0.65378100 0.06738200 1.0 Al Al41 1 0.36420900 0.34621900 0.93261800 1.0 Al Al42 1 0.36420900 0.34621900 0.56738200 1.0 Al Al43 1 0.01798900 0.65378100 0.43261800 1.0 Al Al44 1 0.63579100 0.65378100 0.43261800 1.0 Al Al45 1 0.98201100 0.34621900 0.56738200 1.0 Al Al46 1 0.98201100 0.34621900 0.93261800 1.0 Al Al47 1 0.01798900 0.65378100 0.06738200 1.0 Al Al48 1 0.26095900 0.52191700 0.06305700 1.0 Al Al49 1 0.73904100 0.47808300 0.93694300 1.0 Al Al50 1 0.73904100 0.47808300 0.56305700 1.0 Al Al51 1 0.26095900 0.52191700 0.43694300 1.0 Al Al52 1 0.69098900 0.77781100 0.25000000 1.0 Al Al53 1 0.30901100 0.22218900 0.75000000 1.0 Al Al54 1 0.08682200 0.77781100 0.25000000 1.0 Al Al55 1 0.91317800 0.22218900 0.75000000 1.0 Al Al56 1 0.18727700 0.37455400 0.25000000 1.0 Al Al57 1 0.81272300 0.62544600 0.75000000 1.0 Al Al58 1 0.62918400 0.89152200 0.06470100 1.0 Al Al59 1 0.37081600 0.10847800 0.93529900 1.0 Al Al60 1 0.37081600 0.10847800 0.56470100 1.0 Al Al61 1 0.26233900 0.89152200 0.43529900 1.0 Al Al62 1 0.62918400 0.89152200 0.43529900 1.0 Al Al63 1 0.73766100 0.10847800 0.56470100 1.0 Al Al64 1 0.73766100 0.10847800 0.93529900 1.0 Al Al65 1 0.26233900 0.89152200 0.06470100 1.0 Al Al66 1 0.21436200 0.00852100 0.25000000 1.0 Al Al67 1 0.78563800 0.99147900 0.75000000 1.0 Al Al68 1 0.79416000 0.00852100 0.25000000 1.0 Al Al69 1 0.20584000 0.99147900 0.75000000 1.0 Zn Zn70 1 0.02263200 0.04526400 0.08469600 1.0 Zn Zn71 1 0.97736800 0.95473600 0.91530400 1.0 Zn Zn72 1 0.97736800 0.95473600 0.58469600 1.0 Zn Zn73 1 0.02263200 0.04526400 0.41530400 1.0 Zn Zn74 1 0.63754700 0.27509300 0.25000000 1.0 Zn Zn75 1 0.36245300 0.72490700 0.75000000 1.0