# CIF generated by HEAS from Alexandria entry agm005756552 data_agm005756552 _cell_length_a 9.40794 _cell_length_b 13.78439 _cell_length_c 13.78441 _cell_angle_alpha 38.04937 _cell_angle_beta 108.76399 _cell_angle_gamma 108.76389 _cell_volume 1036.03084 _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 Tl1 Tl 0.25000 0.45907 0.04093 1.00000 Tl2 Tl 0.75000 0.54093 0.95907 1.00000 Hg1 Hg 0.50000 0.00000 0.50000 1.00000 Hg2 Hg 0.00000 0.00000 0.50000 1.00000 S1 S 0.40267 0.19954 0.42038 1.00000 S2 S 0.59733 0.80046 0.57962 1.00000 S3 S 0.90267 0.92038 0.69954 1.00000 S4 S 0.09733 0.07962 0.30046 1.00000 S5 S 0.02921 0.42732 0.17901 1.00000 S6 S 0.97079 0.57268 0.82099 1.00000 S7 S 0.52921 0.67901 0.92732 1.00000 S8 S 0.47079 0.32099 0.07268 1.00000 S9 S 0.00809 0.07308 0.70402 1.00000 S10 S 0.99191 0.92692 0.29598 1.00000 S11 S 0.50809 0.20402 0.57308 1.00000 S12 S 0.49191 0.79598 0.42692 1.00000 S13 S 0.72214 0.56072 0.36518 1.00000 S14 S 0.71153 0.34615 0.80696 1.00000 S15 S 0.22214 0.86518 0.06072 1.00000 S16 S 0.21153 0.30695 0.84615 1.00000 S17 S 0.27786 0.43928 0.63482 1.00000 S18 S 0.28847 0.65385 0.19304 1.00000 S19 S 0.77786 0.13482 0.93928 1.00000 S20 S 0.78847 0.69305 0.15385 1.00000 S21 S 0.22274 0.02182 0.82172 1.00000 S22 S 0.38423 0.19869 0.03221 1.00000 S23 S 0.72274 0.32172 0.52182 1.00000 S24 S 0.88423 0.53221 0.69869 1.00000 S25 S 0.77726 0.97818 0.17828 1.00000 S26 S 0.61577 0.80131 0.96779 1.00000 S27 S 0.27726 0.67828 0.47818 1.00000 S28 S 0.11577 0.46779 0.30131 1.00000