# generated using pymatgen data_TaAlNi6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07235193 _cell_length_b 5.07235193 _cell_length_c 8.21770529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000690 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaAlNi6 _chemical_formula_sum 'Ta2 Al2 Ni12' _cell_volume 183.10488033 _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 Ta Ta0 1 -0.00000000 -0.00000000 0.00000000 1.0 Ta Ta1 1 -0.00000000 -0.00000000 0.50000000 1.0 Al Al2 1 0.33333300 0.66666700 0.75000000 1.0 Al Al3 1 0.66666700 0.33333300 0.25000000 1.0 Ni Ni4 1 0.82645787 0.65291574 0.75000000 1.0 Ni Ni5 1 0.34708426 0.17354213 0.75000000 1.0 Ni Ni6 1 0.82645787 0.17354213 0.75000000 1.0 Ni Ni7 1 0.17354213 0.34708426 0.25000000 1.0 Ni Ni8 1 0.65291574 0.82645787 0.25000000 1.0 Ni Ni9 1 0.17354213 0.82645787 0.25000000 1.0 Ni Ni10 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni11 1 0.50000000 -0.00000000 0.00000000 1.0 Ni Ni12 1 -0.00000000 0.50000000 0.00000000 1.0 Ni Ni13 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni14 1 0.50000000 -0.00000000 0.50000000 1.0 Ni Ni15 1 -0.00000000 0.50000000 0.50000000 1.0