# CIF generated by HEAS from Alexandria entry agm005229607 data_agm005229607 _cell_length_a 13.83977 _cell_length_b 13.83977 _cell_length_c 10.66180 _cell_angle_alpha 89.98345 _cell_angle_beta 89.98345 _cell_angle_gamma 134.66180 _cell_volume 1452.51887 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 Ba 0.06441 0.72144 0.52830 1.00000 Ba2 Ba 0.27856 0.93559 0.97170 1.00000 Ba3 Ba 0.45176 0.10464 0.35691 1.00000 Ba4 Ba 0.33237 0.66763 0.25000 1.00000 Ba5 Ba 0.66763 0.33237 0.75000 1.00000 Ba6 Ba 0.54824 0.89536 0.64309 1.00000 Ba7 Ba 0.99726 0.00274 0.75000 1.00000 Ba8 Ba 0.93559 0.27856 0.47170 1.00000 Ba9 Ba 0.89536 0.54824 0.14309 1.00000 Ba10 Ba 0.00274 0.99726 0.25000 1.00000 Ba11 Ba 0.10464 0.45176 0.85691 1.00000 Ba12 Ba 0.50418 0.49582 0.25000 1.00000 Ba13 Ba 0.49582 0.50418 0.75000 1.00000 Ba14 Ba 0.72144 0.06441 0.02830 1.00000 B1 B 0.51691 0.28323 0.06831 1.00000 B2 B 0.06719 0.29228 0.14872 1.00000 B3 B 0.48309 0.71677 0.93169 1.00000 B4 B 0.93281 0.70772 0.85128 1.00000 B5 B 0.28323 0.51691 0.56831 1.00000 B6 B 0.29228 0.06719 0.64872 1.00000 B7 B 0.71677 0.48309 0.43169 1.00000 B8 B 0.70772 0.93281 0.35128 1.00000 Se1 Se 0.37675 0.99506 0.65277 1.00000 Se2 Se 0.20563 0.79437 0.25000 1.00000 Se3 Se 0.34090 0.18152 0.15073 1.00000 Se4 Se 0.59729 0.20751 0.06294 1.00000 Se5 Se 0.20751 0.59729 0.56294 1.00000 Se6 Se 0.65910 0.81848 0.84927 1.00000 Se7 Se 0.81848 0.65910 0.34927 1.00000 Se8 Se 0.32215 0.16860 0.79743 1.00000 Se9 Se 0.79437 0.20563 0.75000 1.00000 Se10 Se 0.82776 0.97922 0.49016 1.00000 Se11 Se 0.46634 0.62898 0.49926 1.00000 Se12 Se 0.97922 0.82776 0.99016 1.00000 Se13 Se 0.02078 0.17224 0.00984 1.00000 Se14 Se 0.62898 0.46634 0.99926 1.00000 Se15 Se 0.83140 0.67785 0.70257 1.00000 Se16 Se 0.67785 0.83140 0.20257 1.00000 Se17 Se 0.00494 0.62325 0.84723 1.00000 Se18 Se 0.40271 0.79249 0.93706 1.00000 Se19 Se 0.53366 0.37102 0.50074 1.00000 Se20 Se 0.99506 0.37675 0.15277 1.00000 Se21 Se 0.16860 0.32215 0.29743 1.00000 Se22 Se 0.62325 0.00494 0.34723 1.00000 Se23 Se 0.37102 0.53366 0.00074 1.00000 Se24 Se 0.17224 0.02078 0.50984 1.00000 Se25 Se 0.18152 0.34090 0.65073 1.00000 Se26 Se 0.79249 0.40271 0.43706 1.00000