# CIF generated by HEAS from Alexandria entry agm040575855 data_agm040575855 _cell_length_a 5.22630 _cell_length_b 5.22630 _cell_length_c 5.62771 _cell_angle_alpha 81.11236 _cell_angle_beta 81.11236 _cell_angle_gamma 119.84122 _cell_volume 126.84180 _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 0.66786 0.33214 0.50000 1.00000 Nb2 Nb 0.33214 0.66786 0.50000 1.00000 Zn1 Zn 0.83663 0.16337 0.00000 1.00000 Zn2 Zn 0.16337 0.83663 0.00000 1.00000 Zn3 Zn 0.50000 0.50000 0.00000 1.00000 Tc1 Tc 0.00000 0.00000 0.50000 1.00000 N1 N 0.58593 0.91899 0.74203 1.00000 N2 N 0.74794 0.74794 0.25960 1.00000 N3 N 0.41407 0.08101 0.25797 1.00000 N4 N 0.91899 0.58593 0.74203 1.00000 N5 N 0.25206 0.25206 0.74040 1.00000 N6 N 0.08101 0.41407 0.25797 1.00000