# generated using pymatgen data_Tm6Nb4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11415425 _cell_length_b 11.11415425 _cell_length_c 17.65543600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000152 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Nb4Al43 _chemical_formula_sum 'Tm12 Nb8 Al86' _cell_volume 1888.69535495 _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 0.53026900 0.00000000 0.59612500 1.0 Tm Tm1 1 0.46973100 0.00000000 0.40387500 1.0 Tm Tm2 1 0.00000000 0.53026900 0.59612500 1.0 Tm Tm3 1 0.46973100 0.00000000 0.09612500 1.0 Tm Tm4 1 0.00000000 0.53026900 0.90387500 1.0 Tm Tm5 1 0.00000000 0.46973100 0.40387500 1.0 Tm Tm6 1 0.53026900 0.00000000 0.90387500 1.0 Tm Tm7 1 0.00000000 0.46973100 0.09612500 1.0 Tm Tm8 1 0.46973100 0.46973100 0.59612500 1.0 Tm Tm9 1 0.53026900 0.53026900 0.40387500 1.0 Tm Tm10 1 0.53026900 0.53026900 0.09612500 1.0 Tm Tm11 1 0.46973100 0.46973100 0.90387500 1.0 Nb Nb12 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb13 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb14 1 0.72523500 0.00000000 0.75000000 1.0 Nb Nb15 1 0.27476500 0.00000000 0.25000000 1.0 Nb Nb16 1 0.00000000 0.72523500 0.75000000 1.0 Nb Nb17 1 0.00000000 0.27476500 0.25000000 1.0 Nb Nb18 1 0.27476500 0.27476500 0.75000000 1.0 Nb Nb19 1 0.72523500 0.72523500 0.25000000 1.0 Al Al20 1 0.14984500 0.59544200 0.75000000 1.0 Al Al21 1 0.85015500 0.40455800 0.25000000 1.0 Al Al22 1 0.40455800 0.55440300 0.75000000 1.0 Al Al23 1 0.59544200 0.14984500 0.75000000 1.0 Al Al24 1 0.59544200 0.44559700 0.25000000 1.0 Al Al25 1 0.40455800 0.85015500 0.25000000 1.0 Al Al26 1 0.44559700 0.85015500 0.75000000 1.0 Al Al27 1 0.55440300 0.40455800 0.75000000 1.0 Al Al28 1 0.55440300 0.14984500 0.25000000 1.0 Al Al29 1 0.44559700 0.59544200 0.25000000 1.0 Al Al30 1 0.85015500 0.44559700 0.75000000 1.0 Al Al31 1 0.14984500 0.55440300 0.25000000 1.0 Al Al32 1 0.15919600 0.00000000 0.11516200 1.0 Al Al33 1 0.84080400 0.00000000 0.88483800 1.0 Al Al34 1 0.00000000 0.15919600 0.11516200 1.0 Al Al35 1 0.84080400 0.00000000 0.61516200 1.0 Al Al36 1 0.00000000 0.15919600 0.38483800 1.0 Al Al37 1 0.00000000 0.84080400 0.88483800 1.0 Al Al38 1 0.15919600 0.00000000 0.38483800 1.0 Al Al39 1 0.00000000 0.84080400 0.61516200 1.0 Al Al40 1 0.84080400 0.84080400 0.11516200 1.0 Al Al41 1 0.15919600 0.15919600 0.88483800 1.0 Al Al42 1 0.15919600 0.15919600 0.61516200 1.0 Al Al43 1 0.84080400 0.84080400 0.38483800 1.0 Al Al44 1 0.24717000 0.49433900 0.50000000 1.0 Al Al45 1 0.75283000 0.50566100 0.50000000 1.0 Al Al46 1 0.50566100 0.75283000 0.50000000 1.0 Al Al47 1 0.75283000 0.50566100 0.00000000 1.0 Al Al48 1 0.49433900 0.24717000 0.00000000 1.0 Al Al49 1 0.49433900 0.24717000 0.50000000 1.0 Al Al50 1 0.24717000 0.49433900 0.00000000 1.0 Al Al51 1 0.50566100 0.75283000 0.00000000 1.0 Al Al52 1 0.24717000 0.75283000 0.50000000 1.0 Al Al53 1 0.75283000 0.24717000 0.50000000 1.0 Al Al54 1 0.75283000 0.24717000 0.00000000 1.0 Al Al55 1 0.24717000 0.75283000 0.00000000 1.0 Al Al56 1 0.14718300 0.00000000 0.75000000 1.0 Al Al57 1 0.85281700 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14718300 0.75000000 1.0 Al Al59 1 0.00000000 0.85281700 0.25000000 1.0 Al Al60 1 0.85281700 0.85281700 0.75000000 1.0 Al Al61 1 0.14718300 0.14718300 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62625500 1.0 Al Al63 1 0.66666700 0.33333300 0.37374500 1.0 Al Al64 1 0.66666700 0.33333300 0.12625500 1.0 Al Al65 1 0.66666700 0.33333300 0.87374500 1.0 Al Al66 1 0.33333300 0.66666700 0.87374500 1.0 Al Al67 1 0.33333300 0.66666700 0.12625500 1.0 Al Al68 1 0.33333300 0.66666700 0.37374500 1.0 Al Al69 1 0.66666700 0.33333300 0.62625500 1.0 Al Al70 1 0.25709200 0.00000000 0.53034700 1.0 Al Al71 1 0.74290800 0.00000000 0.46965300 1.0 Al Al72 1 0.00000000 0.25709200 0.53034700 1.0 Al Al73 1 0.74290800 0.00000000 0.03034700 1.0 Al Al74 1 0.00000000 0.25709200 0.96965300 1.0 Al Al75 1 0.00000000 0.74290800 0.46965300 1.0 Al Al76 1 0.25709200 0.00000000 0.96965300 1.0 Al Al77 1 0.00000000 0.74290800 0.03034700 1.0 Al Al78 1 0.74290800 0.74290800 0.53034700 1.0 Al Al79 1 0.25709200 0.25709200 0.46965300 1.0 Al Al80 1 0.25709200 0.25709200 0.03034700 1.0 Al Al81 1 0.74290800 0.74290800 0.96965300 1.0 Al Al82 1 0.15676000 0.39470500 0.66328800 1.0 Al Al83 1 0.84324000 0.60529500 0.33671200 1.0 Al Al84 1 0.60529500 0.76205500 0.66328800 1.0 Al Al85 1 0.84324000 0.60529500 0.16328800 1.0 Al Al86 1 0.39470500 0.15676000 0.83671200 1.0 Al Al87 1 0.39470500 0.23794500 0.33671200 1.0 Al Al88 1 0.15676000 0.39470500 0.83671200 1.0 Al Al89 1 0.60529500 0.84324000 0.16328800 1.0 Al Al90 1 0.23794500 0.84324000 0.66328800 1.0 Al Al91 1 0.39470500 0.23794500 0.16328800 1.0 Al Al92 1 0.76205500 0.60529500 0.83671200 1.0 Al Al93 1 0.76205500 0.15676000 0.33671200 1.0 Al Al94 1 0.60529500 0.76205500 0.83671200 1.0 Al Al95 1 0.23794500 0.39470500 0.16328800 1.0 Al Al96 1 0.60529500 0.84324000 0.33671200 1.0 Al Al97 1 0.39470500 0.15676000 0.66328800 1.0 Al Al98 1 0.76205500 0.15676000 0.16328800 1.0 Al Al99 1 0.23794500 0.39470500 0.33671200 1.0 Al Al100 1 0.23794500 0.84324000 0.83671200 1.0 Al Al101 1 0.76205500 0.60529500 0.66328800 1.0 Al Al102 1 0.84324000 0.23794500 0.83671200 1.0 Al Al103 1 0.15676000 0.76205500 0.16328800 1.0 Al Al104 1 0.15676000 0.76205500 0.33671200 1.0 Al Al105 1 0.84324000 0.23794500 0.66328800 1.0