# CIF generated by HEAS from Alexandria entry agm005199641 data_agm005199641 _cell_length_a 3.56021 _cell_length_b 3.56101 _cell_length_c 7.99927 _cell_angle_alpha 90.00228 _cell_angle_beta 102.85300 _cell_angle_gamma 120.00766 _cell_volume 84.87293 _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 Zr1 Zr 0.50818 0.15201 0.67564 1.00000 Sc1 Sc 0.09815 0.94693 0.05905 1.00000 Tl1 Tl 0.96494 0.38067 0.36244 1.00000 S1 S 0.30663 0.55119 0.87252 1.00000