# CIF generated by HEAS from Alexandria entry agm005752107 data_agm005752107 _cell_length_a 7.87859 _cell_length_b 7.87859 _cell_length_c 12.71478 _cell_angle_alpha 54.58038 _cell_angle_beta 54.58037 _cell_angle_gamma 76.61073 _cell_volume 517.63038 _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 Nb1 Nb 0.66297 0.33703 0.25000 1.00000 Nb2 Nb 0.33703 0.66297 0.75000 1.00000 I1 I 0.38037 0.61963 0.25000 1.00000 I2 I 0.61963 0.38037 0.75000 1.00000 I3 I 0.10410 0.27339 0.06110 1.00000 I4 I 0.72661 0.89590 0.43890 1.00000 I5 I 0.89590 0.72661 0.93890 1.00000 I6 I 0.27339 0.10410 0.56110 1.00000 Cl1 Cl 0.79835 0.42065 0.33868 1.00000 Cl2 Cl 0.57935 0.20165 0.16132 1.00000 Cl3 Cl 0.42065 0.79835 0.83868 1.00000 Cl4 Cl 0.20165 0.57935 0.66132 1.00000