data_image0 _chemical_formula_structural TiAsNO2 _chemical_formula_sum "Ti1 As1 N1 O2" _cell_length_a 3.9214237611052916 _cell_length_b 3.9214237611052916 _cell_length_c 3.9214237611052916 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Ti Ti1 1.0 0.21382103881301645 0.0 0.0 1.0000 As As1 1.0 0.5585283860460833 0.5000000000000001 0.5000000000000001 1.0000 N N1 1.0 0.4663458674660631 0.0 0.5000000000000001 1.0000 O O1 1.0 0.4560908027218392 0.5000000000000001 0.0 1.0000 O O2 1.0 0.017747399155064233 0.5000000000000001 0.5000000000000001 1.0000