# CIF generated by HEAS from Alexandria entry agm044255252 data_agm044255252 _cell_length_a 5.40931 _cell_length_b 5.40931 _cell_length_c 5.61234 _cell_angle_alpha 81.72552 _cell_angle_beta 81.72552 _cell_angle_gamma 119.04176 _cell_volume 137.67220 _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 0.00000 0.00000 0.50000 1.00000 Nb1 Nb 0.81278 0.18722 0.00000 1.00000 Nb2 Nb 0.18722 0.81278 0.00000 1.00000 Nb3 Nb 0.50000 0.50000 0.00000 1.00000 Fe1 Fe 0.63606 0.36394 0.50000 1.00000 Fe2 Fe 0.36394 0.63606 0.50000 1.00000 N1 N 0.57393 0.91259 0.75304 1.00000 N2 N 0.76351 0.76351 0.22280 1.00000 N3 N 0.42607 0.08741 0.24696 1.00000 N4 N 0.91259 0.57393 0.75304 1.00000 N5 N 0.23649 0.23649 0.77720 1.00000 N6 N 0.08741 0.42607 0.24696 1.00000