# generated using pymatgen data_Ta6Cu6N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94554151 _cell_length_b 7.94554192 _cell_length_c 7.94554234 _cell_angle_alpha 60.00000234 _cell_angle_beta 60.00000065 _cell_angle_gamma 60.00000448 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Cu6N _chemical_formula_sum 'Ta12 Cu12 N2' _cell_volume 354.69543344 _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 0.19436637 0.80563363 0.19436637 1.0 Ta Ta1 1 0.44436637 0.05563363 0.44436637 1.0 Ta Ta2 1 0.44436637 0.05563363 0.05563363 1.0 Ta Ta3 1 0.44436637 0.44436637 0.05563363 1.0 Ta Ta4 1 0.19436637 0.80563363 0.80563363 1.0 Ta Ta5 1 0.05563363 0.44436637 0.05563363 1.0 Ta Ta6 1 0.80563363 0.80563363 0.19436637 1.0 Ta Ta7 1 0.05563363 0.44436637 0.44436637 1.0 Ta Ta8 1 0.19436637 0.19436637 0.80563363 1.0 Ta Ta9 1 0.80563363 0.19436637 0.19436637 1.0 Ta Ta10 1 0.80563363 0.19436637 0.80563363 1.0 Ta Ta11 1 0.05563363 0.05563363 0.44436637 1.0 Cu Cu12 1 0.83112252 0.50663344 0.83112252 1.0 Cu Cu13 1 0.41887748 0.41887748 0.74336656 1.0 Cu Cu14 1 0.74336656 0.41887748 0.41887748 1.0 Cu Cu15 1 0.41887748 0.41887748 0.41887748 1.0 Cu Cu16 1 0.83112252 0.83112252 0.50663344 1.0 Cu Cu17 1 0.41887748 0.74336656 0.41887748 1.0 Cu Cu18 1 0.83112252 0.83112252 0.83112252 1.0 Cu Cu19 1 0.50663344 0.83112252 0.83112252 1.0 Cu Cu20 1 0.62500000 0.12500000 0.62500000 1.0 Cu Cu21 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu22 1 0.12500000 0.62500000 0.62500000 1.0 Cu Cu23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.00000000 0.00000000 0.00000000 1.0 N N25 1 0.25000000 0.25000000 0.25000000 1.0