# CIF generated by HEAS from Alexandria entry agm005698993 data_agm005698993 _cell_length_a 4.70326 _cell_length_b 4.70326 _cell_length_c 12.31720 _cell_angle_alpha 78.99342 _cell_angle_beta 78.99342 _cell_angle_gamma 60.00001 _cell_volume 230.15629 _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 Nd1 Nd 0.43947 0.43947 0.68158 1.00000 Nd2 Nd 0.56053 0.56053 0.31842 1.00000 Tl1 Tl 0.15033 0.15033 0.54901 1.00000 Tl2 Tl 0.84967 0.84967 0.45099 1.00000 I1 I 0.72046 0.72046 0.83861 1.00000 I2 I 0.27954 0.27954 0.16139 1.00000