# CIF generated by HEAS from Alexandria entry agm005754492 data_agm005754492 _cell_length_a 5.05232 _cell_length_b 8.45752 _cell_length_c 13.14829 _cell_angle_alpha 89.99997 _cell_angle_beta 90.00000 _cell_angle_gamma 107.37882 _cell_volume 536.18017 _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 0.62597 0.25193 0.05423 1.00000 Ba2 Ba 0.07912 0.15824 0.75000 1.00000 Ba3 Ba 0.62597 0.25193 0.44577 1.00000 Ba4 Ba 0.92088 0.84176 0.25000 1.00000 Ba5 Ba 0.37403 0.74807 0.94577 1.00000 Ba6 Ba 0.37403 0.74807 0.55423 1.00000 Se1 Se 0.00000 0.00000 0.00000 1.00000 Se2 Se 0.00000 0.00000 0.50000 1.00000 Se3 Se 0.52740 0.05479 0.25000 1.00000 Se4 Se 0.47260 0.94521 0.75000 1.00000 I1 I 0.25369 0.50739 0.25000 1.00000 I2 I 0.74631 0.49261 0.75000 1.00000