# generated using pymatgen data_Zr4Ni2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68040749 _cell_length_b 8.68040749 _cell_length_c 8.68040749 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Ni2N _chemical_formula_sum 'Zr16 Ni8 N4' _cell_volume 462.49318891 _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 0.12500000 0.62500000 0.62500000 1.0 Zr Zr1 1 0.62500000 0.12500000 0.62500000 1.0 Zr Zr2 1 0.62500000 0.62500000 0.12500000 1.0 Zr Zr3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.81648600 0.81648600 0.18351400 1.0 Zr Zr5 1 0.18351400 0.18351400 0.81648600 1.0 Zr Zr6 1 0.81648600 0.18351400 0.81648600 1.0 Zr Zr7 1 0.18351400 0.81648600 0.18351400 1.0 Zr Zr8 1 0.18351400 0.81648600 0.81648600 1.0 Zr Zr9 1 0.81648600 0.18351400 0.18351400 1.0 Zr Zr10 1 0.43351400 0.43351400 0.06648600 1.0 Zr Zr11 1 0.06648600 0.06648600 0.43351400 1.0 Zr Zr12 1 0.43351400 0.06648600 0.43351400 1.0 Zr Zr13 1 0.06648600 0.43351400 0.06648600 1.0 Zr Zr14 1 0.06648600 0.43351400 0.43351400 1.0 Zr Zr15 1 0.43351400 0.06648600 0.06648600 1.0 Ni Ni16 1 0.76768300 0.41077200 0.41077200 1.0 Ni Ni17 1 0.41077200 0.76768300 0.41077200 1.0 Ni Ni18 1 0.41077200 0.41077200 0.76768300 1.0 Ni Ni19 1 0.41077200 0.41077200 0.41077200 1.0 Ni Ni20 1 0.48231700 0.83922800 0.83922800 1.0 Ni Ni21 1 0.83922800 0.48231700 0.83922800 1.0 Ni Ni22 1 0.83922800 0.83922800 0.48231700 1.0 Ni Ni23 1 0.83922800 0.83922800 0.83922800 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