# CIF generated by HEAS from Alexandria entry agm006111465 data_agm006111465 _cell_length_a 10.01644 _cell_length_b 11.28430 _cell_length_c 10.82595 _cell_angle_alpha 61.93840 _cell_angle_beta 58.50745 _cell_angle_gamma 47.59427 _cell_volume 756.75793 _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 Th1 Th 0.00000 0.00000 0.00000 1.00000 S1 S 0.34730 0.20726 0.36332 1.00000 S2 S 0.78010 0.57121 0.89460 1.00000 S3 S 0.58018 0.82060 0.85007 1.00000 S4 S 0.65270 0.79274 0.63668 1.00000 S5 S 0.21990 0.42879 0.10540 1.00000 S6 S 0.41982 0.17940 0.14993 1.00000 Cl1 Cl 0.69534 0.93541 0.81444 1.00000 Cl2 Cl 0.87678 0.81053 0.51089 1.00000 Cl3 Cl 0.76253 0.53047 0.10424 1.00000 Cl4 Cl 0.30466 0.06459 0.18556 1.00000 Cl5 Cl 0.12322 0.18947 0.48911 1.00000 Cl6 Cl 0.23747 0.46953 0.89576 1.00000 Cl7 Cl 0.33420 0.77526 0.82911 1.00000 Cl8 Cl 0.17869 0.87202 0.19258 1.00000 Cl9 Cl 0.11544 0.19986 0.85593 1.00000 Cl10 Cl 0.66580 0.22474 0.17089 1.00000 Cl11 Cl 0.82131 0.12798 0.80742 1.00000 Cl12 Cl 0.88456 0.80014 0.14407 1.00000