# CIF generated by HEAS from Alexandria entry agm005678049 data_agm005678049 _cell_length_a 3.46809 _cell_length_b 9.02575 _cell_length_c 9.02575 _cell_angle_alpha 60.00093 _cell_angle_beta 90.01486 _cell_angle_gamma 90.01488 _cell_volume 244.67592 _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 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Tl1 Tl 0.00003 0.33329 0.33329 1.00000 Tl2 Tl 0.99997 0.66671 0.66671 1.00000 Hg1 Hg 0.49873 0.66733 0.00003 1.00000 Hg2 Hg 0.50127 0.99997 0.33267 1.00000 Hg3 Hg 0.50127 0.33267 0.99997 1.00000 Hg4 Hg 0.50000 0.66728 0.33272 1.00000 Hg5 Hg 0.49873 0.00003 0.66733 1.00000 Hg6 Hg 0.50000 0.33272 0.66728 1.00000