# generated using pymatgen data_Th2Al20Tc3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85928495 _cell_length_b 6.87927469 _cell_length_c 9.12897103 _cell_angle_alpha 90.17136865 _cell_angle_beta 90.57579931 _cell_angle_gamma 97.38165920 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Al20Tc3Ni _chemical_formula_sum 'Th2 Al20 Tc3 Ni1' _cell_volume 427.17227951 _cell_formula_units_Z 1 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 Th Th0 1 0.87916106 0.13167783 0.75073853 1.0 Th Th1 1 0.12083894 0.86832217 0.24926147 1.0 Al Al2 1 0.51887439 0.78132043 0.74768559 1.0 Al Al3 1 0.48112561 0.21867957 0.25231441 1.0 Al Al4 1 0.59086359 0.86064835 0.24776757 1.0 Al Al5 1 0.76828838 0.77176714 0.99945661 1.0 Al Al6 1 0.16106222 0.84208859 0.60155668 1.0 Al Al7 1 0.23171162 0.22823286 0.00054339 1.0 Al Al8 1 0.13615312 0.40152844 0.25074077 1.0 Al Al9 1 0.62213007 0.38014005 0.94916659 1.0 Al Al10 1 0.83546578 0.15868187 0.10191681 1.0 Al Al11 1 0.37708355 0.62196116 0.45357604 1.0 Al Al12 1 0.16453422 0.84131813 0.89808319 1.0 Al Al13 1 0.22243042 0.48498627 0.75226655 1.0 Al Al14 1 0.37786993 0.61985995 0.05083341 1.0 Al Al15 1 0.83893778 0.15791141 0.39844332 1.0 Al Al16 1 0.62291645 0.37803884 0.54642396 1.0 Al Al17 1 0.40913641 0.13935165 0.75223243 1.0 Al Al18 1 0.77756958 0.51501373 0.24773345 1.0 Al Al19 1 0.77253695 0.77281110 0.49698699 1.0 Al Al20 1 0.22746305 0.22718890 0.50301301 1.0 Al Al21 1 0.86384688 0.59847156 0.74925923 1.0 Tc Tc22 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc23 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni25 1 0.50000000 0.00000000 0.00000000 1.0