# CIF generated by HEAS from Alexandria entry agm005048899 data_agm005048899 _cell_length_a 5.31687 _cell_length_b 5.46386 _cell_length_c 9.13732 _cell_angle_alpha 90.00000 _cell_angle_beta 124.53269 _cell_angle_gamma 90.00000 _cell_volume 218.67446 _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 0.80420 0.75000 0.47235 1.00000 Ti2 Ti 0.19580 0.25000 0.52765 1.00000 Al1 Al 0.21139 0.75000 0.36111 1.00000 Al2 Al 0.78861 0.25000 0.63889 1.00000 Tl1 Tl 0.61525 0.75000 0.86583 1.00000 Tl2 Tl 0.38475 0.25000 0.13417 1.00000 O1 O 0.03315 0.48017 0.64239 1.00000 O2 O 0.96685 0.98017 0.35761 1.00000 O3 O 0.96685 0.51983 0.35761 1.00000 O4 O 0.03315 0.01983 0.64239 1.00000 O5 O 0.40226 0.75000 0.25407 1.00000 O6 O 0.59774 0.25000 0.74593 1.00000 O7 O 0.56368 0.75000 0.57438 1.00000 O8 O 0.43632 0.25000 0.42562 1.00000