# CIF generated by HEAS from Alexandria entry agm044798321 data_agm044798321 _cell_length_a 4.88563 _cell_length_b 4.97458 _cell_length_c 18.78931 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 456.65444 _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 0.00000 0.50000 0.24698 1.00000 Tl2 Tl 0.00000 0.50000 0.50000 1.00000 Tl3 Tl 0.00000 0.50000 0.75302 1.00000 Hg1 Hg 0.00000 0.50000 0.00000 1.00000 Hg2 Hg 0.50000 0.00000 0.00000 1.00000 Hg3 Hg 0.50000 0.00000 0.24988 1.00000 Hg4 Hg 0.50000 0.00000 0.50000 1.00000 Hg5 Hg 0.50000 0.00000 0.75012 1.00000 Hg6 Hg 0.50000 0.50000 0.12083 1.00000 Hg7 Hg 0.50000 0.50000 0.37428 1.00000 Hg8 Hg 0.50000 0.50000 0.62572 1.00000 Hg9 Hg 0.50000 0.50000 0.87917 1.00000 Hg10 Hg 0.00000 0.00000 0.12201 1.00000 Hg11 Hg 0.00000 0.00000 0.37499 1.00000 Hg12 Hg 0.00000 0.00000 0.62501 1.00000 Hg13 Hg 0.00000 0.00000 0.87799 1.00000