# CIF generated by HEAS from Alexandria entry agm005788694 data_agm005788694 _cell_length_a 3.36891 _cell_length_b 5.66655 _cell_length_c 6.84110 _cell_angle_alpha 106.31416 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 125.33869 _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 0.50000 0.00000 0.50000 1.00000 Cr1 Cr 0.00000 0.50000 0.50000 1.00000 S1 S 0.00000 0.24427 0.72001 1.00000 S2 S 0.00000 0.75573 0.27999 1.00000 S3 S 0.50000 0.72820 0.71347 1.00000 S4 S 0.50000 0.27180 0.28653 1.00000