# generated using pymatgen data_Ta2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19544959 _cell_length_b 9.90459850 _cell_length_c 9.90459850 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Al _chemical_formula_sum 'Ta20 Al10' _cell_volume 509.67917142 _cell_formula_units_Z 10 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 0.50000000 0.10201661 0.89798339 1.0 Ta Ta1 1 0.50000000 0.89798339 0.10201661 1.0 Ta Ta2 1 0.00000000 0.39798339 0.39798339 1.0 Ta Ta3 1 0.00000000 0.60201661 0.60201661 1.0 Ta Ta4 1 0.50000000 0.37077103 0.96421372 1.0 Ta Ta5 1 0.50000000 0.62922897 0.03578628 1.0 Ta Ta6 1 0.00000000 0.12922897 0.46421372 1.0 Ta Ta7 1 0.00000000 0.87077103 0.53578628 1.0 Ta Ta8 1 0.50000000 0.96421372 0.37077103 1.0 Ta Ta9 1 0.50000000 0.03578628 0.62922897 1.0 Ta Ta10 1 0.00000000 0.46421372 0.12922897 1.0 Ta Ta11 1 0.00000000 0.53578628 0.87077103 1.0 Ta Ta12 1 0.24823262 0.31855080 0.68144920 1.0 Ta Ta13 1 0.24823262 0.68144920 0.31855080 1.0 Ta Ta14 1 0.74823262 0.18144920 0.18144920 1.0 Ta Ta15 1 0.74823262 0.81855080 0.81855080 1.0 Ta Ta16 1 0.75176738 0.68144920 0.31855080 1.0 Ta Ta17 1 0.75176738 0.31855080 0.68144920 1.0 Ta Ta18 1 0.25176738 0.81855080 0.81855080 1.0 Ta Ta19 1 0.25176738 0.18144920 0.18144920 1.0 Al Al20 1 0.50000000 0.50000000 0.50000000 1.0 Al Al21 1 0.00000000 -0.00000000 -0.00000000 1.0 Al Al22 1 0.50000000 0.43361443 0.23763676 1.0 Al Al23 1 0.50000000 0.56638557 0.76236324 1.0 Al Al24 1 0.00000000 0.06638557 0.73763676 1.0 Al Al25 1 0.00000000 0.93361443 0.26236324 1.0 Al Al26 1 0.50000000 0.23763676 0.43361443 1.0 Al Al27 1 0.50000000 0.76236324 0.56638557 1.0 Al Al28 1 0.00000000 0.73763676 0.06638557 1.0 Al Al29 1 0.00000000 0.26236324 0.93361443 1.0