# generated using pymatgen data_Tm6Al43Cr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.92868985 _cell_length_b 10.92868985 _cell_length_c 17.43908900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999911 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Al43Cr4 _chemical_formula_sum 'Tm12 Al86 Cr8' _cell_volume 1803.80934323 _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 0.46970100 0.46970100 0.90477600 1.0 Tm Tm1 1 0.53029900 0.00000000 0.90477600 1.0 Tm Tm2 1 0.00000000 0.53029900 0.90477600 1.0 Tm Tm3 1 0.53029900 0.53029900 0.09522400 1.0 Tm Tm4 1 0.46970100 0.00000000 0.09522400 1.0 Tm Tm5 1 0.00000000 0.46970100 0.09522400 1.0 Tm Tm6 1 0.53029900 0.53029900 0.40477600 1.0 Tm Tm7 1 0.46970100 0.00000000 0.40477600 1.0 Tm Tm8 1 0.00000000 0.46970100 0.40477600 1.0 Tm Tm9 1 0.46970100 0.46970100 0.59522400 1.0 Tm Tm10 1 0.53029900 0.00000000 0.59522400 1.0 Tm Tm11 1 0.00000000 0.53029900 0.59522400 1.0 Al Al12 1 0.84109500 0.23197700 0.83497100 1.0 Al Al13 1 0.76802300 0.60911800 0.83497100 1.0 Al Al14 1 0.39088200 0.15890500 0.83497100 1.0 Al Al15 1 0.23197700 0.84109500 0.83497100 1.0 Al Al16 1 0.60911800 0.76802300 0.83497100 1.0 Al Al17 1 0.15890500 0.39088200 0.83497100 1.0 Al Al18 1 0.15890500 0.76802300 0.16502900 1.0 Al Al19 1 0.23197700 0.39088200 0.16502900 1.0 Al Al20 1 0.60911800 0.84109500 0.16502900 1.0 Al Al21 1 0.76802300 0.15890500 0.16502900 1.0 Al Al22 1 0.39088200 0.23197700 0.16502900 1.0 Al Al23 1 0.84109500 0.60911800 0.16502900 1.0 Al Al24 1 0.15890500 0.76802300 0.33497100 1.0 Al Al25 1 0.23197700 0.39088200 0.33497100 1.0 Al Al26 1 0.60911800 0.84109500 0.33497100 1.0 Al Al27 1 0.76802300 0.15890500 0.33497100 1.0 Al Al28 1 0.39088200 0.23197700 0.33497100 1.0 Al Al29 1 0.84109500 0.60911800 0.33497100 1.0 Al Al30 1 0.84109500 0.23197700 0.66502900 1.0 Al Al31 1 0.76802300 0.60911800 0.66502900 1.0 Al Al32 1 0.39088200 0.15890500 0.66502900 1.0 Al Al33 1 0.23197700 0.84109500 0.66502900 1.0 Al Al34 1 0.60911800 0.76802300 0.66502900 1.0 Al Al35 1 0.15890500 0.39088200 0.66502900 1.0 Al Al36 1 0.84496400 0.84496400 0.38401700 1.0 Al Al37 1 0.15503600 0.00000000 0.38401700 1.0 Al Al38 1 0.00000000 0.15503600 0.38401700 1.0 Al Al39 1 0.15503600 0.15503600 0.61598300 1.0 Al Al40 1 0.84496400 0.00000000 0.61598300 1.0 Al Al41 1 0.00000000 0.84496400 0.61598300 1.0 Al Al42 1 0.15503600 0.15503600 0.88401700 1.0 Al Al43 1 0.84496400 0.00000000 0.88401700 1.0 Al Al44 1 0.00000000 0.84496400 0.88401700 1.0 Al Al45 1 0.84496400 0.84496400 0.11598300 1.0 Al Al46 1 0.15503600 0.00000000 0.11598300 1.0 Al Al47 1 0.00000000 0.15503600 0.11598300 1.0 Al Al48 1 0.74799900 0.74799900 0.96939000 1.0 Al Al49 1 0.25200100 0.00000000 0.96939000 1.0 Al Al50 1 0.00000000 0.25200100 0.96939000 1.0 Al Al51 1 0.25200100 0.25200100 0.03061000 1.0 Al Al52 1 0.74799900 0.00000000 0.03061000 1.0 Al Al53 1 0.00000000 0.74799900 0.03061000 1.0 Al Al54 1 0.25200100 0.25200100 0.46939000 1.0 Al Al55 1 0.74799900 0.00000000 0.46939000 1.0 Al Al56 1 0.00000000 0.74799900 0.46939000 1.0 Al Al57 1 0.74799900 0.74799900 0.53061000 1.0 Al Al58 1 0.25200100 0.00000000 0.53061000 1.0 Al Al59 1 0.00000000 0.25200100 0.53061000 1.0 Al Al60 1 0.85541200 0.45172400 0.75000000 1.0 Al Al61 1 0.54827600 0.40368800 0.75000000 1.0 Al Al62 1 0.59631200 0.14458800 0.75000000 1.0 Al Al63 1 0.45172400 0.85541200 0.75000000 1.0 Al Al64 1 0.40368800 0.54827600 0.75000000 1.0 Al Al65 1 0.14458800 0.59631200 0.75000000 1.0 Al Al66 1 0.14458800 0.54827600 0.25000000 1.0 Al Al67 1 0.45172400 0.59631200 0.25000000 1.0 Al Al68 1 0.40368800 0.85541200 0.25000000 1.0 Al Al69 1 0.54827600 0.14458800 0.25000000 1.0 Al Al70 1 0.59631200 0.45172400 0.25000000 1.0 Al Al71 1 0.85541200 0.40368800 0.25000000 1.0 Al Al72 1 0.75325200 0.24674800 0.00000000 1.0 Al Al73 1 0.75325200 0.50650400 0.00000000 1.0 Al Al74 1 0.49349600 0.24674800 0.00000000 1.0 Al Al75 1 0.24674800 0.75325200 0.00000000 1.0 Al Al76 1 0.50650400 0.75325200 0.00000000 1.0 Al Al77 1 0.24674800 0.49349600 0.00000000 1.0 Al Al78 1 0.24674800 0.75325200 0.50000000 1.0 Al Al79 1 0.24674800 0.49349600 0.50000000 1.0 Al Al80 1 0.50650400 0.75325200 0.50000000 1.0 Al Al81 1 0.75325200 0.24674800 0.50000000 1.0 Al Al82 1 0.49349600 0.24674800 0.50000000 1.0 Al Al83 1 0.75325200 0.50650400 0.50000000 1.0 Al Al84 1 0.66666700 0.33333300 0.87272800 1.0 Al Al85 1 0.33333300 0.66666700 0.87272800 1.0 Al Al86 1 0.33333300 0.66666700 0.12727200 1.0 Al Al87 1 0.66666700 0.33333300 0.12727200 1.0 Al Al88 1 0.33333300 0.66666700 0.37272800 1.0 Al Al89 1 0.66666700 0.33333300 0.37272800 1.0 Al Al90 1 0.66666700 0.33333300 0.62727200 1.0 Al Al91 1 0.33333300 0.66666700 0.62727200 1.0 Al Al92 1 0.85470200 0.85470200 0.75000000 1.0 Al Al93 1 0.14529800 0.00000000 0.75000000 1.0 Al Al94 1 0.00000000 0.14529800 0.75000000 1.0 Al Al95 1 0.14529800 0.14529800 0.25000000 1.0 Al Al96 1 0.85470200 0.00000000 0.25000000 1.0 Al Al97 1 0.00000000 0.85470200 0.25000000 1.0 Cr Cr98 1 0.27026700 0.27026700 0.75000000 1.0 Cr Cr99 1 0.72973300 0.00000000 0.75000000 1.0 Cr Cr100 1 0.00000000 0.72973300 0.75000000 1.0 Cr Cr101 1 0.72973300 0.72973300 0.25000000 1.0 Cr Cr102 1 0.27026700 0.00000000 0.25000000 1.0 Cr Cr103 1 0.00000000 0.27026700 0.25000000 1.0 Cr Cr104 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr105 1 0.00000000 0.00000000 0.50000000 1.0