# CIF generated by HEAS from Alexandria entry agm044016677 data_agm044016677 _cell_length_a 8.68814 _cell_length_b 8.68814 _cell_length_c 8.68814 _cell_angle_alpha 23.97193 _cell_angle_beta 23.97193 _cell_angle_gamma 23.97193 _cell_volume 95.11905 _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 Ti1 Ti 0.14752 0.14752 0.14752 1.00000 Tl1 Tl 0.98274 0.98274 0.98274 1.00000 Se1 Se 0.41853 0.41853 0.41853 1.00000 Se2 Se 0.54337 0.54337 0.54337 1.00000