# CIF generated by HEAS from Alexandria entry agm003242511 data_agm003242511 _cell_length_a 10.86291 _cell_length_b 11.05371 _cell_length_c 11.78328 _cell_angle_alpha 104.80436 _cell_angle_beta 104.83581 _cell_angle_gamma 113.93666 _cell_volume 1141.98154 _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 I1 I 0.63405 0.76966 0.95354 1.00000 I2 I 0.36595 0.23034 0.04646 1.00000 I3 I 0.56342 0.73472 0.58315 1.00000 I4 I 0.43658 0.26528 0.41685 1.00000 I5 I 0.13686 0.35830 0.52324 1.00000 I6 I 0.86314 0.64170 0.47676 1.00000 I7 I 0.83327 0.56007 0.10511 1.00000 I8 I 0.16673 0.43993 0.89489 1.00000 I9 I 0.22685 0.86356 0.11579 1.00000 I10 I 0.77315 0.13644 0.88421 1.00000 I11 I 0.72488 0.15535 0.22232 1.00000 I12 I 0.27512 0.84465 0.77768 1.00000 I13 I 0.13669 0.35839 0.21325 1.00000 I14 I 0.86331 0.64161 0.78675 1.00000 I15 I 0.22627 0.86254 0.42548 1.00000 I16 I 0.77373 0.13746 0.57452 1.00000 I17 I 0.63340 0.76969 0.26317 1.00000 I18 I 0.36660 0.23031 0.73683 1.00000 H1 H 0.00000 0.00000 0.50000 1.00000 H2 H 0.00000 0.00000 0.00000 1.00000 Nb1 Nb 0.18678 0.11377 0.17278 1.00000 Nb2 Nb 0.81322 0.88623 0.82722 1.00000 Nb3 Nb 0.92742 0.80858 0.04310 1.00000 Nb4 Nb 0.07258 0.19142 0.95690 1.00000 Nb5 Nb 0.88198 0.06583 0.08915 1.00000 Nb6 Nb 0.11802 0.93417 0.91085 1.00000 Nb7 Nb 0.18653 0.11347 0.46999 1.00000 Nb8 Nb 0.81347 0.88653 0.53001 1.00000 Nb9 Nb 0.88205 0.06593 0.38677 1.00000 Nb10 Nb 0.11795 0.93407 0.61323 1.00000 Nb11 Nb 0.92705 0.80839 0.33062 1.00000 Nb12 Nb 0.07295 0.19161 0.66938 1.00000 S1 S 0.99797 0.99471 0.24825 1.00000 S2 S 0.00203 0.00529 0.75175 1.00000