# CIF generated by HEAS from Alexandria entry agm005104101 data_agm005104101 _cell_length_a 3.94672 _cell_length_b 3.94672 _cell_length_c 7.79765 _cell_angle_alpha 75.34066 _cell_angle_beta 75.34066 _cell_angle_gamma 60.00000 _cell_volume 100.59706 _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 0.05785 0.05785 0.82646 1.00000 Tl2 Tl 0.26491 0.26491 0.20528 1.00000 Br1 Br 0.49504 0.49504 0.51489 1.00000 O1 O 0.68221 0.68221 0.95336 1.00000