# CIF generated by HEAS from Alexandria entry agm005015231 data_agm005015231 _cell_length_a 4.52367 _cell_length_b 4.52367 _cell_length_c 7.90982 _cell_angle_alpha 106.61582 _cell_angle_beta 106.61582 _cell_angle_gamma 90.00000 _cell_volume 148.03778 _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 Ba1 Ba 0.15451 0.15451 0.30902 1.00000 Tl1 Tl 0.84859 0.84859 0.69719 1.00000 I1 I 0.51332 0.51332 0.02665 1.00000 F1 F 0.74179 0.24179 0.48357 1.00000 F2 F 0.24179 0.74179 0.48357 1.00000