# CIF generated by HEAS from Alexandria entry agm003404635 data_agm003404635 _cell_length_a 4.78436 _cell_length_b 6.19264 _cell_length_c 7.07900 _cell_angle_alpha 108.76049 _cell_angle_beta 90.00000 _cell_angle_gamma 112.72410 _cell_volume 181.31380 _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 Ti1 Ti 0.14426 0.28852 0.57187 1.00000 Ti2 Ti 0.85574 0.71148 0.42813 1.00000 Ti3 Ti 0.49679 0.99358 0.29037 1.00000 Ti4 Ti 0.50321 0.00642 0.70963 1.00000 S1 S 0.68152 0.36304 0.59365 1.00000 S2 S 0.31848 0.63696 0.40635 1.00000 S3 S 0.00772 0.01545 0.76347 1.00000 S4 S 0.99228 0.98455 0.23653 1.00000 Cl1 Cl 0.34678 0.69356 0.90043 1.00000 Cl2 Cl 0.65322 0.30644 0.09957 1.00000