# CIF generated by HEAS from Alexandria entry agm040507679 data_agm040507679 _cell_length_a 3.22518 _cell_length_b 5.45076 _cell_length_c 5.63711 _cell_angle_alpha 71.09301 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 93.75178 _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 Pa1 Pa 0.50000 0.00000 0.00000 1.00000 Ti1 Ti 0.00000 0.00000 0.50000 1.00000 Nb1 Nb 0.50000 0.50000 0.50000 1.00000 Nb2 Nb 0.00000 0.50000 0.00000 1.00000 N1 N 0.50000 0.75821 0.72952 1.00000 N2 N 0.50000 0.24179 0.27048 1.00000 N3 N 0.00000 0.25845 0.72514 1.00000 N4 N 0.00000 0.74155 0.27486 1.00000