# CIF generated by HEAS from Alexandria entry agm036616232 data_agm036616232 _cell_length_a 8.28203 _cell_length_b 8.28203 _cell_length_c 8.33834 _cell_angle_alpha 80.44863 _cell_angle_beta 99.55137 _cell_angle_gamma 60.14721 _cell_volume 468.06674 _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 0.77647 0.22353 0.27004 1.00000 Ba2 Ba 0.22353 0.77647 0.72996 1.00000 Ba3 Ba 0.09038 0.59436 0.27124 1.00000 Ba4 Ba 0.40564 0.90962 0.27124 1.00000 Ba5 Ba 0.59436 0.09038 0.72876 1.00000 Ba6 Ba 0.90962 0.40564 0.72876 1.00000 Se1 Se 0.50000 0.50000 0.50000 1.00000 Se2 Se 0.00000 0.00000 0.00000 1.00000 Se3 Se 0.82864 0.82864 0.50000 1.00000 Se4 Se 0.17136 0.17136 0.50000 1.00000 I1 I 0.66615 0.66615 0.00000 1.00000 I2 I 0.33385 0.33385 0.00000 1.00000