# generated using pymatgen data_U6Al39Mo8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.02346772 _cell_length_b 11.02346772 _cell_length_c 17.42557200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999831 _symmetry_Int_Tables_number 1 _chemical_formula_structural U6Al39Mo8 _chemical_formula_sum 'U12 Al78 Mo16' _cell_volume 1833.80921681 _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 U U0 1 0.52715100 0.00000000 0.58969800 1.0 U U1 1 0.47284900 0.00000000 0.41030200 1.0 U U2 1 0.00000000 0.52715100 0.58969800 1.0 U U3 1 0.47284900 0.00000000 0.08969800 1.0 U U4 1 0.00000000 0.52715100 0.91030200 1.0 U U5 1 0.00000000 0.47284900 0.41030200 1.0 U U6 1 0.52715100 0.00000000 0.91030200 1.0 U U7 1 0.00000000 0.47284900 0.08969800 1.0 U U8 1 0.47284900 0.47284900 0.58969800 1.0 U U9 1 0.52715100 0.52715100 0.41030200 1.0 U U10 1 0.52715100 0.52715100 0.08969800 1.0 U U11 1 0.47284900 0.47284900 0.91030200 1.0 Al Al12 1 0.25545100 0.00000000 0.52777900 1.0 Al Al13 1 0.74454900 0.00000000 0.47222100 1.0 Al Al14 1 0.00000000 0.25545100 0.52777900 1.0 Al Al15 1 0.74454900 0.00000000 0.02777900 1.0 Al Al16 1 0.00000000 0.25545100 0.97222100 1.0 Al Al17 1 0.00000000 0.74454900 0.47222100 1.0 Al Al18 1 0.25545100 0.00000000 0.97222100 1.0 Al Al19 1 0.00000000 0.74454900 0.02777900 1.0 Al Al20 1 0.74454900 0.74454900 0.52777900 1.0 Al Al21 1 0.25545100 0.25545100 0.47222100 1.0 Al Al22 1 0.25545100 0.25545100 0.02777900 1.0 Al Al23 1 0.74454900 0.74454900 0.97222100 1.0 Al Al24 1 0.14928600 0.60042700 0.75000000 1.0 Al Al25 1 0.85071400 0.39957300 0.25000000 1.0 Al Al26 1 0.39957300 0.54885900 0.75000000 1.0 Al Al27 1 0.60042700 0.14928600 0.75000000 1.0 Al Al28 1 0.60042700 0.45114100 0.25000000 1.0 Al Al29 1 0.39957300 0.85071400 0.25000000 1.0 Al Al30 1 0.45114100 0.85071400 0.75000000 1.0 Al Al31 1 0.54885900 0.39957300 0.75000000 1.0 Al Al32 1 0.54885900 0.14928600 0.25000000 1.0 Al Al33 1 0.45114100 0.60042700 0.25000000 1.0 Al Al34 1 0.85071400 0.45114100 0.75000000 1.0 Al Al35 1 0.14928600 0.54885900 0.25000000 1.0 Al Al36 1 0.16416400 0.39826800 0.66042200 1.0 Al Al37 1 0.83583600 0.60173200 0.33957800 1.0 Al Al38 1 0.60173200 0.76589600 0.66042200 1.0 Al Al39 1 0.83583600 0.60173200 0.16042200 1.0 Al Al40 1 0.39826800 0.16416400 0.83957800 1.0 Al Al41 1 0.39826800 0.23410400 0.33957800 1.0 Al Al42 1 0.16416400 0.39826800 0.83957800 1.0 Al Al43 1 0.60173200 0.83583600 0.16042200 1.0 Al Al44 1 0.23410400 0.83583600 0.66042200 1.0 Al Al45 1 0.39826800 0.23410400 0.16042200 1.0 Al Al46 1 0.76589600 0.60173200 0.83957800 1.0 Al Al47 1 0.76589600 0.16416400 0.33957800 1.0 Al Al48 1 0.60173200 0.76589600 0.83957800 1.0 Al Al49 1 0.23410400 0.39826800 0.16042200 1.0 Al Al50 1 0.60173200 0.83583600 0.33957800 1.0 Al Al51 1 0.39826800 0.16416400 0.66042200 1.0 Al Al52 1 0.76589600 0.16416400 0.16042200 1.0 Al Al53 1 0.23410400 0.39826800 0.33957800 1.0 Al Al54 1 0.23410400 0.83583600 0.83957800 1.0 Al Al55 1 0.76589600 0.60173200 0.66042200 1.0 Al Al56 1 0.83583600 0.23410400 0.83957800 1.0 Al Al57 1 0.16416400 0.76589600 0.16042200 1.0 Al Al58 1 0.16416400 0.76589600 0.33957800 1.0 Al Al59 1 0.83583600 0.23410400 0.66042200 1.0 Al Al60 1 0.15457500 0.00000000 0.75000000 1.0 Al Al61 1 0.84542500 0.00000000 0.25000000 1.0 Al Al62 1 0.00000000 0.15457500 0.75000000 1.0 Al Al63 1 0.00000000 0.84542500 0.25000000 1.0 Al Al64 1 0.84542500 0.84542500 0.75000000 1.0 Al Al65 1 0.15457500 0.15457500 0.25000000 1.0 Al Al66 1 0.15818200 0.00000000 0.11435300 1.0 Al Al67 1 0.84181800 0.00000000 0.88564700 1.0 Al Al68 1 0.00000000 0.15818200 0.11435300 1.0 Al Al69 1 0.84181800 0.00000000 0.61435300 1.0 Al Al70 1 0.00000000 0.15818200 0.38564700 1.0 Al Al71 1 0.00000000 0.84181800 0.88564700 1.0 Al Al72 1 0.15818200 0.00000000 0.38564700 1.0 Al Al73 1 0.00000000 0.84181800 0.61435300 1.0 Al Al74 1 0.84181800 0.84181800 0.11435300 1.0 Al Al75 1 0.15818200 0.15818200 0.88564700 1.0 Al Al76 1 0.15818200 0.15818200 0.61435300 1.0 Al Al77 1 0.84181800 0.84181800 0.38564700 1.0 Al Al78 1 0.25070200 0.50140400 0.50000000 1.0 Al Al79 1 0.74929800 0.49859600 0.50000000 1.0 Al Al80 1 0.49859600 0.74929800 0.50000000 1.0 Al Al81 1 0.74929800 0.49859600 0.00000000 1.0 Al Al82 1 0.50140400 0.25070200 0.00000000 1.0 Al Al83 1 0.50140400 0.25070200 0.50000000 1.0 Al Al84 1 0.25070200 0.50140400 0.00000000 1.0 Al Al85 1 0.49859600 0.74929800 0.00000000 1.0 Al Al86 1 0.25070200 0.74929800 0.50000000 1.0 Al Al87 1 0.74929800 0.25070200 0.50000000 1.0 Al Al88 1 0.74929800 0.25070200 0.00000000 1.0 Al Al89 1 0.25070200 0.74929800 0.00000000 1.0 Mo Mo90 1 0.73776100 0.00000000 0.75000000 1.0 Mo Mo91 1 0.26223900 0.00000000 0.25000000 1.0 Mo Mo92 1 0.00000000 0.73776100 0.75000000 1.0 Mo Mo93 1 0.00000000 0.26223900 0.25000000 1.0 Mo Mo94 1 0.26223900 0.26223900 0.75000000 1.0 Mo Mo95 1 0.73776100 0.73776100 0.25000000 1.0 Mo Mo96 1 0.33333300 0.66666700 0.63092200 1.0 Mo Mo97 1 0.66666700 0.33333300 0.36907800 1.0 Mo Mo98 1 0.66666700 0.33333300 0.13092200 1.0 Mo Mo99 1 0.66666700 0.33333300 0.86907800 1.0 Mo Mo100 1 0.33333300 0.66666700 0.86907800 1.0 Mo Mo101 1 0.33333300 0.66666700 0.13092200 1.0 Mo Mo102 1 0.33333300 0.66666700 0.36907800 1.0 Mo Mo103 1 0.66666700 0.33333300 0.63092200 1.0 Mo Mo104 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo105 1 0.00000000 0.00000000 0.00000000 1.0