# generated using pymatgen data_Tm6Al43Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03127218 _cell_length_b 11.03127218 _cell_length_c 17.52411100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000110 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Al43Mo4 _chemical_formula_sum 'Tm12 Al86 Mo8' _cell_volume 1846.79131334 _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 Tm Tm0 1 0.46892400 0.46892400 0.90474000 1.0 Tm Tm1 1 0.53107600 0.00000000 0.90474000 1.0 Tm Tm2 1 0.00000000 0.53107600 0.90474000 1.0 Tm Tm3 1 0.53107600 0.53107600 0.09526000 1.0 Tm Tm4 1 0.46892400 0.00000000 0.09526000 1.0 Tm Tm5 1 0.00000000 0.46892400 0.09526000 1.0 Tm Tm6 1 0.53107600 0.53107600 0.40474000 1.0 Tm Tm7 1 0.46892400 0.00000000 0.40474000 1.0 Tm Tm8 1 0.00000000 0.46892400 0.40474000 1.0 Tm Tm9 1 0.46892400 0.46892400 0.59526000 1.0 Tm Tm10 1 0.53107600 0.00000000 0.59526000 1.0 Tm Tm11 1 0.00000000 0.53107600 0.59526000 1.0 Al Al12 1 0.84188700 0.23671200 0.83674800 1.0 Al Al13 1 0.76328800 0.60517500 0.83674800 1.0 Al Al14 1 0.39482500 0.15811300 0.83674800 1.0 Al Al15 1 0.23671200 0.84188700 0.83674800 1.0 Al Al16 1 0.60517500 0.76328800 0.83674800 1.0 Al Al17 1 0.15811300 0.39482500 0.83674800 1.0 Al Al18 1 0.15811300 0.76328800 0.16325200 1.0 Al Al19 1 0.23671200 0.39482500 0.16325200 1.0 Al Al20 1 0.60517500 0.84188700 0.16325200 1.0 Al Al21 1 0.76328800 0.15811300 0.16325200 1.0 Al Al22 1 0.39482500 0.23671200 0.16325200 1.0 Al Al23 1 0.84188700 0.60517500 0.16325200 1.0 Al Al24 1 0.15811300 0.76328800 0.33674800 1.0 Al Al25 1 0.23671200 0.39482500 0.33674800 1.0 Al Al26 1 0.60517500 0.84188700 0.33674800 1.0 Al Al27 1 0.76328800 0.15811300 0.33674800 1.0 Al Al28 1 0.39482500 0.23671200 0.33674800 1.0 Al Al29 1 0.84188700 0.60517500 0.33674800 1.0 Al Al30 1 0.84188700 0.23671200 0.66325200 1.0 Al Al31 1 0.76328800 0.60517500 0.66325200 1.0 Al Al32 1 0.39482500 0.15811300 0.66325200 1.0 Al Al33 1 0.23671200 0.84188700 0.66325200 1.0 Al Al34 1 0.60517500 0.76328800 0.66325200 1.0 Al Al35 1 0.15811300 0.39482500 0.66325200 1.0 Al Al36 1 0.84070600 0.84070600 0.38530500 1.0 Al Al37 1 0.15929400 0.00000000 0.38530500 1.0 Al Al38 1 0.00000000 0.15929400 0.38530500 1.0 Al Al39 1 0.15929400 0.15929400 0.61469500 1.0 Al Al40 1 0.84070600 0.00000000 0.61469500 1.0 Al Al41 1 0.00000000 0.84070600 0.61469500 1.0 Al Al42 1 0.15929400 0.15929400 0.88530500 1.0 Al Al43 1 0.84070600 0.00000000 0.88530500 1.0 Al Al44 1 0.00000000 0.84070600 0.88530500 1.0 Al Al45 1 0.84070600 0.84070600 0.11469500 1.0 Al Al46 1 0.15929400 0.00000000 0.11469500 1.0 Al Al47 1 0.00000000 0.15929400 0.11469500 1.0 Al Al48 1 0.74538800 0.74538800 0.96950700 1.0 Al Al49 1 0.25461200 0.00000000 0.96950700 1.0 Al Al50 1 0.00000000 0.25461200 0.96950700 1.0 Al Al51 1 0.25461200 0.25461200 0.03049300 1.0 Al Al52 1 0.74538800 0.00000000 0.03049300 1.0 Al Al53 1 0.00000000 0.74538800 0.03049300 1.0 Al Al54 1 0.25461200 0.25461200 0.46950700 1.0 Al Al55 1 0.74538800 0.00000000 0.46950700 1.0 Al Al56 1 0.00000000 0.74538800 0.46950700 1.0 Al Al57 1 0.74538800 0.74538800 0.53049300 1.0 Al Al58 1 0.25461200 0.00000000 0.53049300 1.0 Al Al59 1 0.00000000 0.25461200 0.53049300 1.0 Al Al60 1 0.85274300 0.44871200 0.75000000 1.0 Al Al61 1 0.55128800 0.40403100 0.75000000 1.0 Al Al62 1 0.59596900 0.14725700 0.75000000 1.0 Al Al63 1 0.44871200 0.85274300 0.75000000 1.0 Al Al64 1 0.40403100 0.55128800 0.75000000 1.0 Al Al65 1 0.14725700 0.59596900 0.75000000 1.0 Al Al66 1 0.14725700 0.55128800 0.25000000 1.0 Al Al67 1 0.44871200 0.59596900 0.25000000 1.0 Al Al68 1 0.40403100 0.85274300 0.25000000 1.0 Al Al69 1 0.55128800 0.14725700 0.25000000 1.0 Al Al70 1 0.59596900 0.44871200 0.25000000 1.0 Al Al71 1 0.85274300 0.40403100 0.25000000 1.0 Al Al72 1 0.75298000 0.24702000 0.00000000 1.0 Al Al73 1 0.75298000 0.50595900 0.00000000 1.0 Al Al74 1 0.49404100 0.24702000 0.00000000 1.0 Al Al75 1 0.24702000 0.75298000 0.00000000 1.0 Al Al76 1 0.50595900 0.75298000 0.00000000 1.0 Al Al77 1 0.24702000 0.49404100 0.00000000 1.0 Al Al78 1 0.24702000 0.75298000 0.50000000 1.0 Al Al79 1 0.24702000 0.49404100 0.50000000 1.0 Al Al80 1 0.50595900 0.75298000 0.50000000 1.0 Al Al81 1 0.75298000 0.24702000 0.50000000 1.0 Al Al82 1 0.49404100 0.24702000 0.50000000 1.0 Al Al83 1 0.75298000 0.50595900 0.50000000 1.0 Al Al84 1 0.66666700 0.33333300 0.87387800 1.0 Al Al85 1 0.33333300 0.66666700 0.87387800 1.0 Al Al86 1 0.33333300 0.66666700 0.12612200 1.0 Al Al87 1 0.66666700 0.33333300 0.12612200 1.0 Al Al88 1 0.33333300 0.66666700 0.37387800 1.0 Al Al89 1 0.66666700 0.33333300 0.37387800 1.0 Al Al90 1 0.66666700 0.33333300 0.62612200 1.0 Al Al91 1 0.33333300 0.66666700 0.62612200 1.0 Al Al92 1 0.85284300 0.85284300 0.75000000 1.0 Al Al93 1 0.14715700 0.00000000 0.75000000 1.0 Al Al94 1 0.00000000 0.14715700 0.75000000 1.0 Al Al95 1 0.14715700 0.14715700 0.25000000 1.0 Al Al96 1 0.85284300 0.00000000 0.25000000 1.0 Al Al97 1 0.00000000 0.85284300 0.25000000 1.0 Mo Mo98 1 0.27157300 0.27157300 0.75000000 1.0 Mo Mo99 1 0.72842700 0.00000000 0.75000000 1.0 Mo Mo100 1 0.00000000 0.72842700 0.75000000 1.0 Mo Mo101 1 0.72842700 0.72842700 0.25000000 1.0 Mo Mo102 1 0.27157300 0.00000000 0.25000000 1.0 Mo Mo103 1 0.00000000 0.27157300 0.25000000 1.0 Mo Mo104 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo105 1 0.00000000 0.00000000 0.50000000 1.0