# generated using pymatgen data_Ta5N6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19125827 _cell_length_b 5.19125815 _cell_length_c 10.43794667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000082 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta5N6 _chemical_formula_sum 'Ta10 N12' _cell_volume 243.60767327 _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 0.67619886 0.00000000 0.75000000 1.0 Ta Ta1 1 0.67619886 0.67619886 0.25000000 1.0 Ta Ta2 1 -0.00000000 0.32380114 0.25000000 1.0 Ta Ta3 1 0.00000000 0.67619886 0.75000000 1.0 Ta Ta4 1 0.32380114 0.32380114 0.75000000 1.0 Ta Ta5 1 0.32380114 0.00000000 0.25000000 1.0 Ta Ta6 1 0.33333300 0.66666700 0.50000000 1.0 Ta Ta7 1 0.66666700 0.33333300 -0.00000000 1.0 Ta Ta8 1 0.66666700 0.33333300 0.50000000 1.0 Ta Ta9 1 0.33333300 0.66666700 -0.00000000 1.0 N N10 1 0.34129929 0.34129929 0.37859569 1.0 N N11 1 0.65870071 0.00000000 0.37859569 1.0 N N12 1 0.00000000 0.65870071 0.37859569 1.0 N N13 1 -0.00000000 0.34129929 0.87859569 1.0 N N14 1 0.65870071 0.00000000 0.12140431 1.0 N N15 1 0.65870071 0.65870071 0.87859569 1.0 N N16 1 0.34129929 0.00000000 0.87859569 1.0 N N17 1 0.65870071 0.65870071 0.62140431 1.0 N N18 1 -0.00000000 0.34129929 0.62140431 1.0 N N19 1 0.00000000 0.65870071 0.12140431 1.0 N N20 1 0.34129929 0.00000000 0.62140431 1.0 N N21 1 0.34129929 0.34129929 0.12140431 1.0