# generated using pymatgen data_Zr3TaOs2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69875579 _cell_length_b 8.69874685 _cell_length_c 8.69874679 _cell_angle_alpha 60.00005824 _cell_angle_beta 60.00009260 _cell_angle_gamma 60.00009263 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3TaOs2N _chemical_formula_sum 'Zr12 Ta4 Os8 N4' _cell_volume 465.43208792 _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 Zr Zr0 1 0.81279811 0.81279692 0.18720213 1.0 Zr Zr1 1 0.18720283 0.18720351 0.81279732 1.0 Zr Zr2 1 0.81279811 0.18720213 0.81279692 1.0 Zr Zr3 1 0.18720283 0.81279732 0.18720351 1.0 Zr Zr4 1 0.18720216 0.81279710 0.81279710 1.0 Zr Zr5 1 0.81279836 0.18720277 0.18720277 1.0 Zr Zr6 1 0.43720189 0.43720308 0.06279787 1.0 Zr Zr7 1 0.06279717 0.06279649 0.43720268 1.0 Zr Zr8 1 0.43720189 0.06279787 0.43720308 1.0 Zr Zr9 1 0.06279717 0.43720268 0.06279649 1.0 Zr Zr10 1 0.06279784 0.43720290 0.43720290 1.0 Zr Zr11 1 0.43720164 0.06279723 0.06279723 1.0 Ta Ta12 1 0.12500000 0.62500000 0.62500000 1.0 Ta Ta13 1 0.62500000 0.12500000 0.62500000 1.0 Ta Ta14 1 0.62500000 0.62500000 0.12500000 1.0 Ta Ta15 1 0.62500000 0.62500000 0.62500000 1.0 Os Os16 1 0.75002372 0.41665817 0.41665817 1.0 Os Os17 1 0.41665669 0.75002431 0.41665865 1.0 Os Os18 1 0.41665669 0.41665865 0.75002431 1.0 Os Os19 1 0.41665676 0.41665866 0.41665866 1.0 Os Os20 1 0.49997628 0.83334183 0.83334183 1.0 Os Os21 1 0.83334331 0.49997569 0.83334135 1.0 Os Os22 1 0.83334331 0.83334135 0.49997569 1.0 Os Os23 1 0.83334324 0.83334134 0.83334134 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