# generated using pymatgen data_Ta3AlCu2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12113350 _cell_length_b 8.12113413 _cell_length_c 8.12113251 _cell_angle_alpha 60.00000258 _cell_angle_beta 60.00000002 _cell_angle_gamma 60.00000489 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3AlCu2N _chemical_formula_sum 'Ta12 Al4 Cu8 N4' _cell_volume 378.73457746 _cell_formula_units_Z 4 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 0.81793779 0.81793779 0.18206221 1.0 Ta Ta1 1 0.18206221 0.18206221 0.81793779 1.0 Ta Ta2 1 0.81793779 0.18206221 0.81793779 1.0 Ta Ta3 1 0.18206221 0.81793779 0.18206221 1.0 Ta Ta4 1 0.18206221 0.81793779 0.81793779 1.0 Ta Ta5 1 0.81793779 0.18206221 0.18206221 1.0 Ta Ta6 1 0.43206221 0.43206221 0.06793779 1.0 Ta Ta7 1 0.06793779 0.06793779 0.43206221 1.0 Ta Ta8 1 0.43206221 0.06793779 0.43206221 1.0 Ta Ta9 1 0.06793779 0.43206221 0.06793779 1.0 Ta Ta10 1 0.06793779 0.43206221 0.43206221 1.0 Ta Ta11 1 0.43206221 0.06793779 0.06793779 1.0 Al Al12 1 0.12500000 0.62500000 0.62500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.62500000 0.12500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Cu Cu16 1 0.74254369 0.41915144 0.41915144 1.0 Cu Cu17 1 0.41915144 0.74254369 0.41915144 1.0 Cu Cu18 1 0.41915144 0.41915144 0.74254369 1.0 Cu Cu19 1 0.41915144 0.41915144 0.41915144 1.0 Cu Cu20 1 0.50745631 0.83084856 0.83084856 1.0 Cu Cu21 1 0.83084856 0.50745631 0.83084856 1.0 Cu Cu22 1 0.83084856 0.83084856 0.50745631 1.0 Cu Cu23 1 0.83084856 0.83084856 0.83084856 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0