# generated using pymatgen data_Zr3Mn2NbN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70348595 _cell_length_b 8.70348568 _cell_length_c 8.70348512 _cell_angle_alpha 59.99999813 _cell_angle_beta 59.99999916 _cell_angle_gamma 59.99999612 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Mn2NbN _chemical_formula_sum 'Zr12 Mn8 Nb4 N4' _cell_volume 466.19179243 _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 0.81522544 0.81522544 0.18477456 1.0 Zr Zr1 1 0.18477456 0.18477456 0.81522544 1.0 Zr Zr2 1 0.81522544 0.18477456 0.81522544 1.0 Zr Zr3 1 0.18477456 0.81522544 0.18477456 1.0 Zr Zr4 1 0.18477456 0.81522544 0.81522544 1.0 Zr Zr5 1 0.81522544 0.18477456 0.18477456 1.0 Zr Zr6 1 0.43477456 0.43477456 0.06522544 1.0 Zr Zr7 1 0.06522544 0.06522544 0.43477456 1.0 Zr Zr8 1 0.43477456 0.06522544 0.43477456 1.0 Zr Zr9 1 0.06522544 0.43477456 0.06522544 1.0 Zr Zr10 1 0.06522544 0.43477456 0.43477456 1.0 Zr Zr11 1 0.43477456 0.06522544 0.06522544 1.0 Mn Mn12 1 0.74471551 0.41842783 0.41842783 1.0 Mn Mn13 1 0.41842783 0.74471551 0.41842783 1.0 Mn Mn14 1 0.41842783 0.41842783 0.74471551 1.0 Mn Mn15 1 0.41842783 0.41842783 0.41842783 1.0 Mn Mn16 1 0.50528449 0.83157217 0.83157217 1.0 Mn Mn17 1 0.83157217 0.50528449 0.83157217 1.0 Mn Mn18 1 0.83157217 0.83157217 0.50528449 1.0 Mn Mn19 1 0.83157217 0.83157217 0.83157217 1.0 Nb Nb20 1 0.12500000 0.62500000 0.62500000 1.0 Nb Nb21 1 0.62500000 0.12500000 0.62500000 1.0 Nb Nb22 1 0.62500000 0.62500000 0.12500000 1.0 Nb Nb23 1 0.62500000 0.62500000 0.62500000 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