# generated using pymatgen data_Tm6Ta4Al43 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10700792 _cell_length_b 11.10700792 _cell_length_c 17.64478700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999955 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm6Ta4Al43 _chemical_formula_sum 'Tm12 Ta8 Al86' _cell_volume 1885.12961948 _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 0.53034600 0.00000000 0.59646900 1.0 Tm Tm1 1 0.46965400 0.00000000 0.40353100 1.0 Tm Tm2 1 0.00000000 0.53034600 0.59646900 1.0 Tm Tm3 1 0.46965400 0.00000000 0.09646900 1.0 Tm Tm4 1 0.00000000 0.53034600 0.90353100 1.0 Tm Tm5 1 0.00000000 0.46965400 0.40353100 1.0 Tm Tm6 1 0.53034600 0.00000000 0.90353100 1.0 Tm Tm7 1 0.00000000 0.46965400 0.09646900 1.0 Tm Tm8 1 0.46965400 0.46965400 0.59646900 1.0 Tm Tm9 1 0.53034600 0.53034600 0.40353100 1.0 Tm Tm10 1 0.53034600 0.53034600 0.09646900 1.0 Tm Tm11 1 0.46965400 0.46965400 0.90353100 1.0 Ta Ta12 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta13 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta14 1 0.72495400 0.00000000 0.75000000 1.0 Ta Ta15 1 0.27504600 0.00000000 0.25000000 1.0 Ta Ta16 1 0.00000000 0.72495400 0.75000000 1.0 Ta Ta17 1 0.00000000 0.27504600 0.25000000 1.0 Ta Ta18 1 0.27504600 0.27504600 0.75000000 1.0 Ta Ta19 1 0.72495400 0.72495400 0.25000000 1.0 Al Al20 1 0.14989600 0.59533500 0.75000000 1.0 Al Al21 1 0.85010400 0.40466500 0.25000000 1.0 Al Al22 1 0.40466500 0.55456100 0.75000000 1.0 Al Al23 1 0.59533500 0.14989600 0.75000000 1.0 Al Al24 1 0.59533500 0.44543900 0.25000000 1.0 Al Al25 1 0.40466500 0.85010400 0.25000000 1.0 Al Al26 1 0.44543900 0.85010400 0.75000000 1.0 Al Al27 1 0.55456100 0.40466500 0.75000000 1.0 Al Al28 1 0.55456100 0.14989600 0.25000000 1.0 Al Al29 1 0.44543900 0.59533500 0.25000000 1.0 Al Al30 1 0.85010400 0.44543900 0.75000000 1.0 Al Al31 1 0.14989600 0.55456100 0.25000000 1.0 Al Al32 1 0.15938100 0.00000000 0.11503400 1.0 Al Al33 1 0.84061900 0.00000000 0.88496600 1.0 Al Al34 1 0.00000000 0.15938100 0.11503400 1.0 Al Al35 1 0.84061900 0.00000000 0.61503400 1.0 Al Al36 1 0.00000000 0.15938100 0.38496600 1.0 Al Al37 1 0.00000000 0.84061900 0.88496600 1.0 Al Al38 1 0.15938100 0.00000000 0.38496600 1.0 Al Al39 1 0.00000000 0.84061900 0.61503400 1.0 Al Al40 1 0.84061900 0.84061900 0.11503400 1.0 Al Al41 1 0.15938100 0.15938100 0.88496600 1.0 Al Al42 1 0.15938100 0.15938100 0.61503400 1.0 Al Al43 1 0.84061900 0.84061900 0.38496600 1.0 Al Al44 1 0.24705600 0.49411300 0.50000000 1.0 Al Al45 1 0.75294400 0.50588700 0.50000000 1.0 Al Al46 1 0.50588700 0.75294400 0.50000000 1.0 Al Al47 1 0.75294400 0.50588700 0.00000000 1.0 Al Al48 1 0.49411300 0.24705600 0.00000000 1.0 Al Al49 1 0.49411300 0.24705600 0.50000000 1.0 Al Al50 1 0.24705600 0.49411300 0.00000000 1.0 Al Al51 1 0.50588700 0.75294400 0.00000000 1.0 Al Al52 1 0.24705600 0.75294400 0.50000000 1.0 Al Al53 1 0.75294400 0.24705600 0.50000000 1.0 Al Al54 1 0.75294400 0.24705600 0.00000000 1.0 Al Al55 1 0.24705600 0.75294400 0.00000000 1.0 Al Al56 1 0.14728600 0.00000000 0.75000000 1.0 Al Al57 1 0.85271400 0.00000000 0.25000000 1.0 Al Al58 1 0.00000000 0.14728600 0.75000000 1.0 Al Al59 1 0.00000000 0.85271400 0.25000000 1.0 Al Al60 1 0.85271400 0.85271400 0.75000000 1.0 Al Al61 1 0.14728600 0.14728600 0.25000000 1.0 Al Al62 1 0.33333300 0.66666700 0.62621400 1.0 Al Al63 1 0.66666700 0.33333300 0.37378600 1.0 Al Al64 1 0.66666700 0.33333300 0.12621400 1.0 Al Al65 1 0.66666700 0.33333300 0.87378600 1.0 Al Al66 1 0.33333300 0.66666700 0.87378600 1.0 Al Al67 1 0.33333300 0.66666700 0.12621400 1.0 Al Al68 1 0.33333300 0.66666700 0.37378600 1.0 Al Al69 1 0.66666700 0.33333300 0.62621400 1.0 Al Al70 1 0.25680300 0.00000000 0.53030600 1.0 Al Al71 1 0.74319700 0.00000000 0.46969400 1.0 Al Al72 1 0.00000000 0.25680300 0.53030600 1.0 Al Al73 1 0.74319700 0.00000000 0.03030600 1.0 Al Al74 1 0.00000000 0.25680300 0.96969400 1.0 Al Al75 1 0.00000000 0.74319700 0.46969400 1.0 Al Al76 1 0.25680300 0.00000000 0.96969400 1.0 Al Al77 1 0.00000000 0.74319700 0.03030600 1.0 Al Al78 1 0.74319700 0.74319700 0.53030600 1.0 Al Al79 1 0.25680300 0.25680300 0.46969400 1.0 Al Al80 1 0.25680300 0.25680300 0.03030600 1.0 Al Al81 1 0.74319700 0.74319700 0.96969400 1.0 Al Al82 1 0.15712900 0.39489500 0.66309100 1.0 Al Al83 1 0.84287100 0.60510500 0.33690900 1.0 Al Al84 1 0.60510500 0.76223400 0.66309100 1.0 Al Al85 1 0.84287100 0.60510500 0.16309100 1.0 Al Al86 1 0.39489500 0.15712900 0.83690900 1.0 Al Al87 1 0.39489500 0.23776600 0.33690900 1.0 Al Al88 1 0.15712900 0.39489500 0.83690900 1.0 Al Al89 1 0.60510500 0.84287100 0.16309100 1.0 Al Al90 1 0.23776600 0.84287100 0.66309100 1.0 Al Al91 1 0.39489500 0.23776600 0.16309100 1.0 Al Al92 1 0.76223400 0.60510500 0.83690900 1.0 Al Al93 1 0.76223400 0.15712900 0.33690900 1.0 Al Al94 1 0.60510500 0.76223400 0.83690900 1.0 Al Al95 1 0.23776600 0.39489500 0.16309100 1.0 Al Al96 1 0.60510500 0.84287100 0.33690900 1.0 Al Al97 1 0.39489500 0.15712900 0.66309100 1.0 Al Al98 1 0.76223400 0.15712900 0.16309100 1.0 Al Al99 1 0.23776600 0.39489500 0.33690900 1.0 Al Al100 1 0.23776600 0.84287100 0.83690900 1.0 Al Al101 1 0.76223400 0.60510500 0.66309100 1.0 Al Al102 1 0.84287100 0.23776600 0.83690900 1.0 Al Al103 1 0.15712900 0.76223400 0.16309100 1.0 Al Al104 1 0.15712900 0.76223400 0.33690900 1.0 Al Al105 1 0.84287100 0.23776600 0.66309100 1.0