# generated using pymatgen data_Mn5Al31Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59645500 _cell_length_b 12.76125200 _cell_length_c 12.61225798 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.52690468 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Al31Cu3 _chemical_formula_sum 'Mn10 Al62 Cu6' _cell_volume 1165.87569562 _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 0.35745200 0.94671000 0.71490300 1.0 Mn Mn1 1 0.64254800 0.05329000 0.28509700 1.0 Mn Mn2 1 0.35745200 0.55329000 0.71490300 1.0 Mn Mn3 1 0.64254800 0.44671000 0.28509700 1.0 Mn Mn4 1 0.52353400 0.75000000 0.42386400 1.0 Mn Mn5 1 0.09967100 0.25000000 0.57613600 1.0 Mn Mn6 1 0.47646600 0.25000000 0.57613600 1.0 Mn Mn7 1 0.90032900 0.75000000 0.42386400 1.0 Mn Mn8 1 0.53932400 0.75000000 0.07864800 1.0 Mn Mn9 1 0.46067600 0.25000000 0.92135200 1.0 Al Al10 1 0.36300900 0.15047200 0.72601900 1.0 Al Al11 1 0.63699100 0.84952800 0.27398100 1.0 Al Al12 1 0.36300900 0.34952800 0.72601900 1.0 Al Al13 1 0.63699100 0.65047200 0.27398100 1.0 Al Al14 1 0.26114400 0.06369900 0.52228900 1.0 Al Al15 1 0.73885600 0.93630100 0.47771100 1.0 Al Al16 1 0.26114400 0.43630100 0.52228900 1.0 Al Al17 1 0.73885600 0.56369900 0.47771100 1.0 Al Al18 1 0.45869700 0.88445200 0.91739500 1.0 Al Al19 1 0.54130300 0.11554800 0.08260500 1.0 Al Al20 1 0.45869700 0.61554800 0.91739500 1.0 Al Al21 1 0.54130300 0.38445200 0.08260500 1.0 Al Al22 1 0.01707500 0.09510000 0.03415000 1.0 Al Al23 1 0.98292500 0.90490000 0.96585000 1.0 Al Al24 1 0.01707500 0.40490000 0.03415000 1.0 Al Al25 1 0.98292500 0.59510000 0.96585000 1.0 Al Al26 1 0.75311300 0.75000000 0.96455600 1.0 Al Al27 1 0.78855600 0.25000000 0.03544400 1.0 Al Al28 1 0.24688700 0.25000000 0.03544400 1.0 Al Al29 1 0.21144400 0.75000000 0.96455600 1.0 Al Al30 1 0.91255900 0.75000000 0.20653600 1.0 Al Al31 1 0.70602300 0.25000000 0.79346400 1.0 Al Al32 1 0.08744100 0.25000000 0.79346400 1.0 Al Al33 1 0.29397700 0.75000000 0.20653600 1.0 Al Al34 1 0.80237500 0.75000000 0.60475000 1.0 Al Al35 1 0.19762500 0.25000000 0.39525000 1.0 Al Al36 1 0.20448700 0.75000000 0.40897300 1.0 Al Al37 1 0.79551300 0.25000000 0.59102700 1.0 Al Al38 1 0.36629600 0.75000000 0.73259300 1.0 Al Al39 1 0.63370400 0.25000000 0.26740700 1.0 Al Al40 1 0.26060900 0.07065000 0.89989000 1.0 Al Al41 1 0.36071900 0.92935000 0.10011000 1.0 Al Al42 1 0.26060900 0.42935000 0.89989000 1.0 Al Al43 1 0.36071900 0.57065000 0.10011000 1.0 Al Al44 1 0.73939100 0.92935000 0.10011000 1.0 Al Al45 1 0.63928100 0.07065000 0.89989000 1.0 Al Al46 1 0.73939100 0.57065000 0.10011000 1.0 Al Al47 1 0.63928100 0.42935000 0.89989000 1.0 Al Al48 1 0.97714300 0.93417000 0.34611600 1.0 Al Al49 1 0.63102700 0.06583000 0.65388400 1.0 Al Al50 1 0.97714300 0.56583000 0.34611600 1.0 Al Al51 1 0.63102700 0.43417000 0.65388400 1.0 Al Al52 1 0.02285700 0.06583000 0.65388400 1.0 Al Al53 1 0.36897300 0.93417000 0.34611600 1.0 Al Al54 1 0.02285700 0.43417000 0.65388400 1.0 Al Al55 1 0.36897300 0.56583000 0.34611600 1.0 Al Al56 1 0.09372100 0.87174100 0.56579000 1.0 Al Al57 1 0.52793100 0.12825900 0.43421000 1.0 Al Al58 1 0.09372100 0.62825900 0.56579000 1.0 Al Al59 1 0.52793100 0.37174100 0.43421000 1.0 Al Al60 1 0.90627900 0.12825900 0.43421000 1.0 Al Al61 1 0.47206900 0.87174100 0.56579000 1.0 Al Al62 1 0.90627900 0.37174100 0.43421000 1.0 Al Al63 1 0.47206900 0.62825900 0.56579000 1.0 Al Al64 1 0.90657300 0.10712800 0.21809700 1.0 Al Al65 1 0.68847600 0.89287200 0.78190300 1.0 Al Al66 1 0.90657300 0.39287200 0.21809700 1.0 Al Al67 1 0.68847600 0.60712800 0.78190300 1.0 Al Al68 1 0.09342700 0.89287200 0.78190300 1.0 Al Al69 1 0.31152400 0.10712800 0.21809700 1.0 Al Al70 1 0.09342700 0.60712800 0.78190300 1.0 Al Al71 1 0.31152400 0.39287200 0.21809700 1.0 Cu Cu72 1 0.08655900 0.93604200 0.17311700 1.0 Cu Cu73 1 0.91344100 0.06395800 0.82688300 1.0 Cu Cu74 1 0.08655900 0.56395800 0.17311700 1.0 Cu Cu75 1 0.91344100 0.43604200 0.82688300 1.0 Cu Cu76 1 0.90594100 0.75000000 0.81188200 1.0 Cu Cu77 1 0.09405900 0.25000000 0.18811800 1.0