# CIF generated by HEAS from Alexandria entry agm007677366 data_agm007677366 _cell_length_a 2.99622 _cell_length_b 5.15185 _cell_length_c 6.67361 _cell_angle_alpha 125.95168 _cell_angle_beta 102.95765 _cell_angle_gamma 90.00144 _cell_volume 80.12788 _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 0.50000 0.50000 0.00000 1.00000 Fe1 Fe 0.00000 0.00000 0.00000 1.00000 H1 H 0.56398 0.96898 0.12815 1.00000 H2 H 0.07637 0.41126 0.15304 1.00000 H3 H 0.30462 0.18784 0.60880 1.00000 H4 H 0.43602 0.03102 0.87185 1.00000 H5 H 0.92363 0.58874 0.84696 1.00000 H6 H 0.69538 0.81216 0.39120 1.00000 Pd1 Pd 0.74204 0.24058 0.48345 1.00000 Pd2 Pd 0.25796 0.75942 0.51655 1.00000