data_image0 _chemical_formula_structural Ti2Ba2Cu4Se8 _chemical_formula_sum "Ti2 Ba2 Cu4 Se8" _cell_length_a 9.001700468404715 _cell_length_b 6.3184491089978625 _cell_length_c 6.949739294954022 _cell_angle_alpha 89.99998395970674 _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 0.4999999999999999 0.20831391916759562 0.48305233600761033 1.0000 Ti Ti2 1.0 1.5712713618780208e-19 0.7916843332179552 0.9830529116345949 1.0000 Ba Ba1 1.0 0.5 0.7606045583119192 0.9597544290460998 1.0000 Ba Ba2 1.0 0.0 0.23939396914388017 0.4597543407675339 1.0000 Cu Cu1 1.0 0.7483563875385538 0.6680444679826607 0.5111142795290988 1.0000 Cu Cu2 1.0 0.25164361246144534 0.6680444679826607 0.5111142795290987 1.0000 Cu Cu3 1.0 0.7516436004915558 0.3319537039909701 0.011114271788639218 1.0000 Cu Cu4 1.0 0.24835639950844296 0.3319537039909701 0.011114271788639218 1.0000 Se Se1 1.0 0.4999999999999999 0.2551788914891916 0.13542439536443399 1.0000 Se Se2 1.0 0.0 0.7448194161208564 0.635424663333668 1.0000 Se Se3 1.0 0.5 0.8328816239909369 0.5077690400398422 1.0000 Se Se4 1.0 8.431832084531182e-19 0.1671165351052669 0.007769106644401121 1.0000 Se Se5 1.0 0.7992151481570062 0.6618717764458487 0.17156950669193885 1.0000 Se Se6 1.0 0.20078485184299308 0.6618717764458487 0.17156950669193882 1.0000 Se Se7 1.0 0.70078478830696 0.3381262078202465 0.6715692366739432 1.0000 Se Se8 1.0 0.2992152116930406 0.3381262078202465 0.6715692366739432 1.0000