# generated using pymatgen data_Hf3Ta2Al3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.93998234 _cell_length_b 7.93998359 _cell_length_c 5.44856544 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000304 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ta2Al3N _chemical_formula_sum 'Hf6 Ta4 Al6 N2' _cell_volume 297.47599905 _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 Hf Hf0 1 0.22971862 1.00000000 0.25000000 1.0 Hf Hf1 1 0.00000000 0.22971862 0.25000000 1.0 Hf Hf2 1 0.77028138 0.77028138 0.25000000 1.0 Hf Hf3 1 0.77028138 0.00000000 0.75000000 1.0 Hf Hf4 1 1.00000000 0.77028138 0.75000000 1.0 Hf Hf5 1 0.22971862 0.22971862 0.75000000 1.0 Ta Ta6 1 0.66666700 0.33333300 0.00000000 1.0 Ta Ta7 1 0.33333300 0.66666700 0.00000000 1.0 Ta Ta8 1 0.66666700 0.33333300 0.50000000 1.0 Ta Ta9 1 0.33333300 0.66666700 0.50000000 1.0 Al Al10 1 0.58871590 1.00000000 0.25000000 1.0 Al Al11 1 0.00000000 0.58871590 0.25000000 1.0 Al Al12 1 0.41128410 0.41128410 0.25000000 1.0 Al Al13 1 0.41128410 0.00000000 0.75000000 1.0 Al Al14 1 1.00000000 0.41128410 0.75000000 1.0 Al Al15 1 0.58871590 0.58871590 0.75000000 1.0 N N16 1 0.00000000 0.00000000 0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0