# generated using pymatgen data_Ta20Al9Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87336203 _cell_length_b 9.87336198 _cell_length_c 5.18500624 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.94264742 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta20Al9Cu _chemical_formula_sum 'Ta20 Al9 Cu1' _cell_volume 505.45114745 _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 Ta Ta0 1 0.39730432 0.39730432 0.00000000 1.0 Ta Ta1 1 0.89967783 0.10032217 0.50000000 1.0 Ta Ta2 1 0.10032217 0.89967783 0.50000000 1.0 Ta Ta3 1 0.60269568 0.60269568 0.00000000 1.0 Ta Ta4 1 0.12891773 0.46475653 0.00000000 1.0 Ta Ta5 1 0.96367242 0.36972342 0.50000000 1.0 Ta Ta6 1 0.03632758 0.63027658 0.50000000 1.0 Ta Ta7 1 0.87108227 0.53524347 0.00000000 1.0 Ta Ta8 1 0.36972342 0.96367242 0.50000000 1.0 Ta Ta9 1 0.63027658 0.03632758 0.50000000 1.0 Ta Ta10 1 0.46475653 0.12891773 0.00000000 1.0 Ta Ta11 1 0.53524347 0.87108227 0.00000000 1.0 Ta Ta12 1 0.18054553 0.18054553 0.25182870 1.0 Ta Ta13 1 0.68223839 0.31776161 0.75169507 1.0 Ta Ta14 1 0.31776161 0.68223839 0.75169507 1.0 Ta Ta15 1 0.81945447 0.81945447 0.25182870 1.0 Ta Ta16 1 0.31776161 0.68223839 0.24830493 1.0 Ta Ta17 1 0.68223839 0.31776161 0.24830493 1.0 Ta Ta18 1 0.18054553 0.18054553 0.74817130 1.0 Ta Ta19 1 0.81945447 0.81945447 0.74817130 1.0 Al Al20 1 0.50000000 0.50000000 0.50000000 1.0 Al Al21 1 0.25605534 0.93513049 0.00000000 1.0 Al Al22 1 0.43315620 0.23769483 0.50000000 1.0 Al Al23 1 0.56684380 0.76230517 0.50000000 1.0 Al Al24 1 0.74394466 0.06486951 0.00000000 1.0 Al Al25 1 0.23769483 0.43315620 0.50000000 1.0 Al Al26 1 0.76230517 0.56684380 0.50000000 1.0 Al Al27 1 0.93513049 0.25605534 0.00000000 1.0 Al Al28 1 0.06486951 0.74394466 0.00000000 1.0 Cu Cu29 1 0.00000000 0.00000000 0.00000000 1.0