# generated using pymatgen data_Ta8CuNi3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17861559 _cell_length_b 8.17861538 _cell_length_c 8.17802987 _cell_angle_alpha 60.00236817 _cell_angle_beta 60.00236901 _cell_angle_gamma 60.01694372 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8CuNi3N2 _chemical_formula_sum 'Ta16 Cu2 Ni6 N4' _cell_volume 386.86942546 _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 0.12361142 0.62222004 0.62708427 1.0 Ta Ta1 1 0.62222004 0.12361142 0.62708427 1.0 Ta Ta2 1 0.62443107 0.62443107 0.12108952 1.0 Ta Ta3 1 0.62443107 0.62443107 0.63004733 1.0 Ta Ta4 1 0.81507999 0.81507999 0.18492001 1.0 Ta Ta5 1 0.18323858 0.18323858 0.81676142 1.0 Ta Ta6 1 0.81592232 0.18398470 0.81566116 1.0 Ta Ta7 1 0.18398470 0.81592232 0.18443182 1.0 Ta Ta8 1 0.18398470 0.81592232 0.81566116 1.0 Ta Ta9 1 0.81592232 0.18398470 0.18443182 1.0 Ta Ta10 1 0.43374012 0.43374012 0.06625988 1.0 Ta Ta11 1 0.06412897 0.06412897 0.43587103 1.0 Ta Ta12 1 0.43454443 0.06677441 0.43505194 1.0 Ta Ta13 1 0.06677441 0.43454443 0.06362923 1.0 Ta Ta14 1 0.06677441 0.43454443 0.43505194 1.0 Ta Ta15 1 0.43454443 0.06677441 0.06362923 1.0 Cu Cu16 1 0.74849692 0.41783983 0.41683212 1.0 Cu Cu17 1 0.41783983 0.74849692 0.41683212 1.0 Ni Ni18 1 0.42074498 0.42074498 0.73909138 1.0 Ni Ni19 1 0.42074498 0.42074498 0.41941767 1.0 Ni Ni20 1 0.51138586 0.82926481 0.82967467 1.0 Ni Ni21 1 0.82926481 0.51138586 0.82967467 1.0 Ni Ni22 1 0.82948709 0.82948709 0.51110695 1.0 Ni Ni23 1 0.82948709 0.82948709 0.82991888 1.0 N N24 1 0.62380894 0.12501264 0.12558921 1.0 N N25 1 0.12501264 0.62380894 0.12558921 1.0 N N26 1 0.12519696 0.12519696 0.62391739 1.0 N N27 1 0.12519696 0.12519696 0.12568870 1.0