# CIF generated by HEAS from Alexandria entry agm005608486 data_agm005608486 _cell_length_a 11.58048 _cell_length_b 11.19871 _cell_length_c 11.19871 _cell_angle_alpha 110.40222 _cell_angle_beta 106.15225 _cell_angle_gamma 106.15224 _cell_volume 1188.53945 _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 0.41814 0.08596 0.08596 1.00000 Nb2 Nb 0.58186 0.91404 0.91404 1.00000 Nb3 Nb 0.63987 0.03330 0.20670 1.00000 Nb4 Nb 0.36013 0.79330 0.96670 1.00000 Nb5 Nb 0.36013 0.96670 0.79330 1.00000 Nb6 Nb 0.63987 0.20670 0.03330 1.00000 Hg1 Hg 0.19884 0.46437 0.15607 1.00000 Hg2 Hg 0.80116 0.84393 0.53563 1.00000 Hg3 Hg 0.80116 0.53563 0.84393 1.00000 Hg4 Hg 0.19884 0.15607 0.46437 1.00000 I1 I 0.50000 0.21387 0.78613 1.00000 I2 I 0.15886 0.50881 0.90708 1.00000 I3 I 0.15886 0.90708 0.50881 1.00000 I4 I 0.84114 0.49119 0.09292 1.00000 I5 I 0.78457 0.66384 0.66384 1.00000 I6 I 0.21543 0.33616 0.33616 1.00000 I7 I 0.53533 0.37878 0.17390 1.00000 I8 I 0.46467 0.82610 0.62122 1.00000 I9 I 0.46467 0.62122 0.82610 1.00000 I10 I 0.53533 0.17390 0.37878 1.00000 I11 I 0.15968 0.70415 0.70415 1.00000 I12 I 0.79379 0.90401 0.10789 1.00000 I13 I 0.79379 0.10789 0.90401 1.00000 I14 I 0.20621 0.09599 0.89211 1.00000 I15 I 0.20621 0.89211 0.09599 1.00000 I16 I 0.50000 0.78613 0.21387 1.00000 I17 I 0.84032 0.29585 0.29585 1.00000 I18 I 0.84114 0.09292 0.49119 1.00000