# CIF generated by HEAS from Alexandria entry agm017303082 data_agm017303082 _cell_length_a 6.79084 _cell_length_b 9.71997 _cell_length_c 10.29266 _cell_angle_alpha 118.19761 _cell_angle_beta 109.25467 _cell_angle_gamma 89.99723 _cell_volume 555.26986 _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 0.68098 0.98622 0.61276 1.00000 Nb2 Nb 0.18176 0.98679 0.61350 1.00000 Nb3 Nb 0.87993 0.12724 0.01423 1.00000 Nb4 Nb 0.38327 0.12593 0.01310 1.00000 Nb5 Nb 0.81460 0.38723 0.87414 1.00000 Nb6 Nb 0.30850 0.38684 0.87254 1.00000 Nb7 Nb 0.81824 0.01321 0.38650 1.00000 Nb8 Nb 0.31902 0.01378 0.38724 1.00000 Nb9 Nb 0.61673 0.87407 0.98690 1.00000 Nb10 Nb 0.12007 0.87276 0.98577 1.00000 Nb11 Nb 0.69150 0.61316 0.12746 1.00000 Nb12 Nb 0.18540 0.61277 0.12586 1.00000 Tl1 Tl 0.50000 0.50000 0.50000 1.00000 S1 S 0.45832 0.83278 0.16689 1.00000 S2 S 0.95863 0.83379 0.16632 1.00000 S3 S 0.04137 0.16621 0.83368 1.00000 S4 S 0.54168 0.16722 0.83311 1.00000 S5 S 0.26930 0.84601 0.78760 1.00000 S6 S 0.77055 0.84700 0.78925 1.00000 S7 S 0.45255 0.44254 0.15297 1.00000 S8 S 0.95211 0.44133 0.15404 1.00000 S9 S 0.15355 0.21139 0.55791 1.00000 S10 S 0.65551 0.21146 0.55803 1.00000 S11 S 0.22945 0.15300 0.21075 1.00000 S12 S 0.73070 0.15399 0.21240 1.00000 S13 S 0.04789 0.55867 0.84596 1.00000 S14 S 0.54745 0.55746 0.84703 1.00000 S15 S 0.34449 0.78854 0.44197 1.00000 S16 S 0.84645 0.78861 0.44209 1.00000