# generated using pymatgen data_Zr6InPbN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24679274 _cell_length_b 6.24679337 _cell_length_c 9.13995917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 148.29782144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6InPbN2 _chemical_formula_sum 'Zr6 In1 Pb1 N2' _cell_volume 187.42802124 _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 0.61874373 0.38125327 0.03587253 1.0 Zr Zr1 1 0.96400600 0.03599100 0.25000000 1.0 Zr Zr2 1 0.61874373 0.38125327 0.46412747 1.0 Zr Zr3 1 0.38020385 0.61979315 0.53890773 1.0 Zr Zr4 1 0.03784116 0.96215584 0.75000000 1.0 Zr Zr5 1 0.38020385 0.61979315 0.96109327 1.0 In In6 1 0.74737500 0.25262300 0.75000000 1.0 Pb Pb7 1 0.25337820 0.74661980 0.25000000 1.0 N N8 1 0.99974673 0.00025327 0.99991159 1.0 N N9 1 0.99974673 0.00025327 0.50008841 1.0