# CIF generated by HEAS from Alexandria entry agm044659685 data_agm044659685 _cell_length_a 9.10880 _cell_length_b 9.10880 _cell_length_c 9.10880 _cell_angle_alpha 60.00000 _cell_angle_beta 60.00000 _cell_angle_gamma 60.00000 _cell_volume 534.40200 _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 0.25577 0.74423 0.25577 1.00000 Ba2 Ba 0.25577 0.25577 0.74423 1.00000 Ba3 Ba 0.75000 0.75000 0.75000 1.00000 Ba4 Ba 0.25577 0.74423 0.74423 1.00000 Ba5 Ba 0.74423 0.25577 0.25577 1.00000 Ba6 Ba 0.25000 0.25000 0.25000 1.00000 Ba7 Ba 0.74423 0.74423 0.25577 1.00000 Ba8 Ba 0.74423 0.25577 0.74423 1.00000 S1 S 0.50000 0.50000 0.50000 1.00000 S2 S 0.50000 0.00000 0.00000 1.00000 S3 S 0.50000 0.50000 0.00000 1.00000 S4 S 0.50000 0.00000 0.50000 1.00000 S5 S 0.00000 0.00000 0.50000 1.00000 S6 S 0.00000 0.50000 0.00000 1.00000 S7 S 0.00000 0.50000 0.50000 1.00000 Cl1 Cl 0.00000 0.00000 0.00000 1.00000