data_image0 _chemical_formula_structural Cl20Nb12O8 _chemical_formula_sum "Cl20 Nb12 O8" _cell_length_a 6.735473 _cell_length_b 8.164544 _cell_length_c 14.63696 _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 Cl Cl1 1.0 1.6466282966856084e-33 0.3260231067 0.1110326188 1.0000 Cl Cl2 1.0 7.576445472263024e-33 0.7058508105 0.14082705699999995 1.0000 Cl Cl3 1.0 0.0 0.775140657 0.3709390475 1.0000 Cl Cl4 1.0 2.009037050991075e-33 0.2091078204 0.3735399974 1.0000 Cl Cl5 1.0 1.6995895738229102e-32 0.7908929145 0.6264600025999998 1.0000 Cl Cl6 1.0 4.424908046862419e-33 0.2248588531 0.6290609525 1.0000 Cl Cl7 1.0 3.558892039052242e-32 0.2941486994999999 0.8591729429999998 1.0000 Cl Cl8 1.0 1.1318147593641837e-32 0.6739764033 0.8889673811999997 1.0000 Cl Cl9 1.0 0.24140398160000004 0.0 0.0 1.0000 Cl Cl10 1.0 0.2585965381 0.49999975499999993 0.4999999999999999 1.0000 Cl Cl11 1.0 0.5000005196 0.7091075754 0.1264600026 1.0000 Cl Cl12 1.0 0.5000005196 0.2751409019 0.1290609525 1.0000 Cl Cl13 1.0 0.5000005196 0.2058510555 0.3591729429999999 1.0000 Cl Cl14 1.0 0.5000005196 0.8260228618 0.3889673812 1.0000 Cl Cl15 1.0 0.5000005196 0.1739766483 0.6110326188 1.0000 Cl Cl16 1.0 0.5000005196 0.7941496793999998 0.6408270569999998 1.0000 Cl Cl17 1.0 0.5000005196 0.724859833 0.8709390475 1.0000 Cl Cl18 1.0 0.5000005196 0.2908919347 0.8735399973999998 1.0000 Cl Cl19 1.0 0.7414030165 0.49999975499999993 0.4999999999999999 1.0000 Cl Cl20 1.0 0.7585970577 0.0 0.0 1.0000 Nb Nb1 1.0 5.918719138305872e-35 0.0266212051 0.1346796056 1.0000 Nb Nb2 1.0 4.037438992629557e-32 0.9733795297999998 0.8653203943999997 1.0000 Nb Nb3 1.0 0.21141202700000003 0.24026938919999993 0.2400361824 1.0000 Nb Nb4 1.0 0.21141202700000003 0.7597313457 0.7599638176 1.0000 Nb Nb5 1.0 0.2885884926 0.7402691442 0.2599638176 1.0000 Nb Nb6 1.0 0.2885884926 0.2597315906 0.7400361824 1.0000 Nb Nb7 1.0 0.5000005196 0.5266209601 0.3653203944 1.0000 Nb Nb8 1.0 0.5000005196 0.4733785499999999 0.6346796055999999 1.0000 Nb Nb9 1.0 0.7114125467000001 0.7402691442 0.2599638176 1.0000 Nb Nb10 1.0 0.7114125467000001 0.2597315906 0.7400361824 1.0000 Nb Nb11 1.0 0.7885875276 0.24026938919999993 0.2400361824 1.0000 Nb Nb12 1.0 0.7885875276 0.7597313457 0.7599638176 1.0000 O O1 1.0 0.22249513880000002 0.9908403947999999 0.2264725735 1.0000 O O2 1.0 0.22249513880000002 0.0091591153 0.7735274265 1.0000 O O3 1.0 0.2775053808 0.49084063969999997 0.2735274265 1.0000 O O4 1.0 0.2775053808 0.5091588704 0.7264725735 1.0000 O O5 1.0 0.7224941738000003 0.49084063969999997 0.2735274265 1.0000 O O6 1.0 0.7224941738000003 0.5091588704 0.7264725735 1.0000 O O7 1.0 0.7775059005 0.9908403947999999 0.2264725735 1.0000 O O8 1.0 0.7775059005 0.0091591153 0.7735274265 1.0000