# generated using pymatgen data_Zr6GaPN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88583931 _cell_length_b 5.88584018 _cell_length_c 8.60475743 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.15911779 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6GaPN2 _chemical_formula_sum 'Zr6 Ga1 P1 N2' _cell_volume 166.00595782 _cell_formula_units_Z 1 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 0.63252513 0.36747487 0.43858705 1.0 Zr Zr1 1 0.37189686 0.62810314 0.54758348 1.0 Zr Zr2 1 0.63252513 0.36747487 0.06141295 1.0 Zr Zr3 1 0.37189686 0.62810314 0.95241652 1.0 Zr Zr4 1 0.93404082 0.06595918 0.25000000 1.0 Zr Zr5 1 0.05349187 0.94650813 0.75000000 1.0 Ga Ga6 1 0.74634746 0.25365254 0.75000000 1.0 P P7 1 0.25544108 0.74455892 0.25000000 1.0 N N8 1 0.00091890 0.99908110 0.49643918 1.0 N N9 1 0.00091890 0.99908110 0.00356082 1.0