# generated using pymatgen data_Ta13Al23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.60557552 _cell_length_b 13.60557552 _cell_length_c 13.60557571 _cell_angle_alpha 59.82687949 _cell_angle_beta 59.82687949 _cell_angle_gamma 59.82687906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta13Al23 _chemical_formula_sum 'Ta39 Al69' _cell_volume 1773.88684038 _cell_formula_units_Z 3 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 Ta Ta0 1 0.52870800 0.78108800 0.52870800 1.0 Ta Ta1 1 0.52870800 0.52870800 0.78108800 1.0 Ta Ta2 1 0.78108800 0.52870800 0.52870800 1.0 Ta Ta3 1 0.52428000 0.16696700 0.52428000 1.0 Ta Ta4 1 0.78174000 0.16233800 0.52889400 1.0 Ta Ta5 1 0.52889400 0.16233800 0.78174000 1.0 Ta Ta6 1 0.16233800 0.52889400 0.78174000 1.0 Ta Ta7 1 0.16233800 0.78174000 0.52889400 1.0 Ta Ta8 1 0.16696700 0.52428000 0.52428000 1.0 Ta Ta9 1 0.78174000 0.52889400 0.16233800 1.0 Ta Ta10 1 0.52428000 0.52428000 0.16696700 1.0 Ta Ta11 1 0.52889400 0.78174000 0.16233800 1.0 Ta Ta12 1 0.91370600 0.91370600 0.91370600 1.0 Ta Ta13 1 0.91003300 0.27054200 0.91003300 1.0 Ta Ta14 1 0.27054200 0.91003300 0.91003300 1.0 Ta Ta15 1 0.91003300 0.91003300 0.27054200 1.0 Ta Ta16 1 0.40673000 0.40673000 0.40673000 1.0 Ta Ta17 1 0.40773500 0.77856800 0.40773500 1.0 Ta Ta18 1 0.77856800 0.40773500 0.40773500 1.0 Ta Ta19 1 0.40773500 0.40773500 0.77856800 1.0 Ta Ta20 1 0.00027200 0.00027200 0.00027200 1.0 Ta Ta21 1 0.00787400 0.36358800 0.00787400 1.0 Ta Ta22 1 0.00787400 0.00787400 0.36358800 1.0 Ta Ta23 1 0.36358800 0.00787400 0.00787400 1.0 Ta Ta24 1 0.00645900 0.62527800 0.00645900 1.0 Ta Ta25 1 0.37475300 0.61975900 0.00340700 1.0 Ta Ta26 1 0.00340700 0.61975900 0.37475300 1.0 Ta Ta27 1 0.61975900 0.00340700 0.37475300 1.0 Ta Ta28 1 0.61975900 0.37475300 0.00340700 1.0 Ta Ta29 1 0.62527800 0.00645900 0.00645900 1.0 Ta Ta30 1 0.37475300 0.00340700 0.61975900 1.0 Ta Ta31 1 0.00645900 0.00645900 0.62527800 1.0 Ta Ta32 1 0.00340700 0.37475300 0.61975900 1.0 Ta Ta33 1 0.15655800 0.15655800 0.15655800 1.0 Ta Ta34 1 0.15672400 0.53152700 0.15672400 1.0 Ta Ta35 1 0.53152700 0.15672400 0.15672400 1.0 Ta Ta36 1 0.15672400 0.15672400 0.53152700 1.0 Ta Ta37 1 0.75464700 0.75464700 0.75464700 1.0 Ta Ta38 1 0.25018100 0.25018100 0.25018100 1.0 Al Al39 1 0.83537000 0.83537000 0.83537000 1.0 Al Al40 1 0.81612100 0.51527500 0.81612100 1.0 Al Al41 1 0.51527500 0.81612100 0.81612100 1.0 Al Al42 1 0.81612100 0.81612100 0.51527500 1.0 Al Al43 1 0.55232200 0.55232200 0.55232200 1.0 Al Al44 1 0.55178200 0.34469400 0.55178200 1.0 Al Al45 1 0.34469400 0.55178200 0.55178200 1.0 Al Al46 1 0.55178200 0.55178200 0.34469400 1.0 Al Al47 1 0.66197100 0.66197100 0.33772000 1.0 Al Al48 1 0.33772000 0.66197100 0.66197100 1.0 Al Al49 1 0.66197100 0.33772000 0.66197100 1.0 Al Al50 1 0.33730200 0.33730200 0.66263000 1.0 Al Al51 1 0.66263000 0.33730200 0.33730200 1.0 Al Al52 1 0.33730200 0.66263000 0.33730200 1.0 Al Al53 1 0.67367500 0.67367500 0.67367500 1.0 Al Al54 1 0.65769100 0.99057800 0.65769100 1.0 Al Al55 1 0.99057800 0.65769100 0.65769100 1.0 Al Al56 1 0.65769100 0.65769100 0.99057800 1.0 Al Al57 1 0.39434300 0.19627500 0.39434300 1.0 Al Al58 1 0.39434300 0.39434300 0.19627500 1.0 Al Al59 1 0.19627500 0.39434300 0.39434300 1.0 Al Al60 1 0.39576500 0.01341500 0.39576500 1.0 Al Al61 1 0.19600700 0.01385500 0.39590800 1.0 Al Al62 1 0.39590800 0.01385500 0.19600700 1.0 Al Al63 1 0.01385500 0.39590800 0.19600700 1.0 Al Al64 1 0.01385500 0.19600700 0.39590800 1.0 Al Al65 1 0.01341500 0.39576500 0.39576500 1.0 Al Al66 1 0.19600700 0.39590800 0.01385500 1.0 Al Al67 1 0.39576500 0.39576500 0.01341500 1.0 Al Al68 1 0.39590800 0.19600700 0.01385500 1.0 Al Al69 1 0.14078000 0.95172900 0.14078000 1.0 Al Al70 1 0.14078000 0.14078000 0.95172900 1.0 Al Al71 1 0.95172900 0.14078000 0.14078000 1.0 Al Al72 1 0.14214900 0.76477000 0.14214900 1.0 Al Al73 1 0.95381200 0.76579000 0.14371600 1.0 Al Al74 1 0.14371600 0.76579000 0.95381200 1.0 Al Al75 1 0.76579000 0.14371600 0.95381200 1.0 Al Al76 1 0.76579000 0.95381200 0.14371600 1.0 Al Al77 1 0.76477000 0.14214900 0.14214900 1.0 Al Al78 1 0.95381200 0.14371600 0.76579000 1.0 Al Al79 1 0.14214900 0.14214900 0.76477000 1.0 Al Al80 1 0.14371600 0.95381200 0.76579000 1.0 Al Al81 1 0.76685600 0.08605400 0.76685600 1.0 Al Al82 1 0.76685600 0.76685600 0.08605400 1.0 Al Al83 1 0.08605400 0.76685600 0.76685600 1.0 Al Al84 1 0.76605600 0.38009900 0.76605600 1.0 Al Al85 1 0.07920400 0.38855900 0.76700300 1.0 Al Al86 1 0.76700300 0.38855900 0.07920400 1.0 Al Al87 1 0.38855900 0.76700300 0.07920400 1.0 Al Al88 1 0.38855900 0.07920400 0.76700300 1.0 Al Al89 1 0.38009900 0.76605600 0.76605600 1.0 Al Al90 1 0.07920400 0.76700300 0.38855900 1.0 Al Al91 1 0.76605600 0.76605600 0.38009900 1.0 Al Al92 1 0.76700300 0.07920400 0.38855900 1.0 Al Al93 1 0.89969100 0.89969100 0.59779800 1.0 Al Al94 1 0.59779800 0.89969100 0.89969100 1.0 Al Al95 1 0.89969100 0.59779800 0.89969100 1.0 Al Al96 1 0.26336200 0.58090100 0.26336200 1.0 Al Al97 1 0.26336200 0.26336200 0.58090100 1.0 Al Al98 1 0.58090100 0.26336200 0.26336200 1.0 Al Al99 1 0.26378100 0.89154900 0.26378100 1.0 Al Al100 1 0.58178400 0.89164300 0.26461200 1.0 Al Al101 1 0.26461200 0.89164300 0.58178400 1.0 Al Al102 1 0.89164300 0.26461200 0.58178400 1.0 Al Al103 1 0.89164300 0.58178400 0.26461200 1.0 Al Al104 1 0.89154900 0.26378100 0.26378100 1.0 Al Al105 1 0.58178400 0.26461200 0.89164300 1.0 Al Al106 1 0.26378100 0.26378100 0.89154900 1.0 Al Al107 1 0.26461200 0.58178400 0.89164300 1.0