# CIF generated by HEAS from Alexandria entry agm003658813 data_agm003658813 _cell_length_a 6.38937 _cell_length_b 7.56354 _cell_length_c 7.56354 _cell_angle_alpha 79.72314 _cell_angle_beta 65.01506 _cell_angle_gamma 65.01506 _cell_volume 300.30728 _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 0.40556 0.39417 0.79695 1.00000 Ba2 Ba 0.79973 0.79695 0.60583 1.00000 Ba3 Ba 0.20251 0.20305 0.39417 1.00000 Ba4 Ba 0.59668 0.60583 0.20305 1.00000 Ti1 Ti 0.05509 1.00000 1.00000 1.00000 S1 S 0.91496 0.35010 0.82571 1.00000 S2 S 0.26507 0.82571 0.64990 1.00000 S3 S 0.74067 0.17429 0.35010 1.00000 S4 S 0.09077 0.64990 0.17429 1.00000 S5 S 0.43925 0.00000 0.00000 1.00000