# generated using pymatgen data_Zr3TaRh2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66850961 _cell_length_b 8.66850959 _cell_length_c 8.66851003 _cell_angle_alpha 60.00000209 _cell_angle_beta 60.00000217 _cell_angle_gamma 59.99999920 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3TaRh2N _chemical_formula_sum 'Zr12 Ta4 Rh8 N4' _cell_volume 460.59406647 _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 0.81352989 0.81352989 0.18647011 1.0 Zr Zr1 1 0.18647011 0.18647011 0.81352989 1.0 Zr Zr2 1 0.81352989 0.18647011 0.81352989 1.0 Zr Zr3 1 0.18647011 0.81352989 0.18647011 1.0 Zr Zr4 1 0.18647011 0.81352989 0.81352989 1.0 Zr Zr5 1 0.81352989 0.18647011 0.18647011 1.0 Zr Zr6 1 0.43647011 0.43647011 0.06352989 1.0 Zr Zr7 1 0.06352989 0.06352989 0.43647011 1.0 Zr Zr8 1 0.43647011 0.06352989 0.43647011 1.0 Zr Zr9 1 0.06352989 0.43647011 0.06352989 1.0 Zr Zr10 1 0.06352989 0.43647011 0.43647011 1.0 Zr Zr11 1 0.43647011 0.06352989 0.06352989 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 Rh Rh16 1 0.75735791 0.41421336 0.41421336 1.0 Rh Rh17 1 0.41421336 0.75735791 0.41421336 1.0 Rh Rh18 1 0.41421336 0.41421336 0.75735791 1.0 Rh Rh19 1 0.41421336 0.41421336 0.41421336 1.0 Rh Rh20 1 0.49264209 0.83578664 0.83578664 1.0 Rh Rh21 1 0.83578664 0.49264209 0.83578664 1.0 Rh Rh22 1 0.83578664 0.83578664 0.49264209 1.0 Rh Rh23 1 0.83578664 0.83578664 0.83578664 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