data_image0 _chemical_formula_structural VI2SeI3TiI4Se2TiITiI _chemical_formula_sum "V1 I11 Se3 Ti3" _cell_length_a 22.792831822537707 _cell_length_b 23.887682211679444 _cell_length_c 7.6141792240194635 _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 V V1 1.0 0.429019868744235 0.43360413487542154 0.9712428413361066 1.0000 I I1 1.0 0.3577819919325742 0.47119215768064227 0.23978923619508527 1.0000 I I2 1.0 0.5363730166114318 0.6351946937654854 0.7548954901040189 1.0000 Se Se1 1.0 0.4921601310405083 0.5123901692402588 0.48993304942304466 1.0000 I I3 1.0 0.6022792383547705 0.6035696881476126 0.2602617091627654 1.0000 I I4 1.0 0.6472140581045851 0.4567015450960373 0.5049182126628401 1.0000 I I5 1.0 0.37348814918497786 0.3353828836748828 0.996471440094087 1.0000 Ti Ti1 1.0 0.43081982032578553 0.4266932564840618 0.5135048004980637 1.0000 I I6 1.0 0.5091054610480229 0.3865644801752398 0.2473229856202688 1.0000 I I7 1.0 0.6423053021153243 0.45981372653416125 0.0028576067521355634 1.0000 I I8 1.0 0.3809676275889192 0.6158837160329657 0.006223617221706279 1.0000 I I9 1.0 0.3648631893100138 0.33361870736502885 0.4971544742296582 1.0000 Se Se2 1.0 0.49340931288902534 0.5091026207866379 0.008647325170121123 1.0000 Se Se3 1.0 0.37184570634122915 0.4765656730927923 0.7484227116257312 1.0000 Ti Ti2 1.0 0.57816546087567 0.49828126813820744 0.2660830278283235 1.0000 I I10 1.0 0.5060959262312201 0.37864658939404583 0.7503955414305198 1.0000 Ti Ti3 1.0 0.44489465995328054 0.569829516109165 0.7497711189537308 1.0000 I I11 1.0 0.3742964050360276 0.6183971243135371 0.5169395765280368 1.0000