# CIF generated by HEAS from Alexandria entry agm007168643 data_agm007168643 _cell_length_a 3.33477 _cell_length_b 5.34493 _cell_length_c 5.65255 _cell_angle_alpha 71.25625 _cell_angle_beta 72.69540 _cell_angle_gamma 81.42574 _cell_volume 90.93010 _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 Cu1 Cu 0.00000 0.00000 0.00000 1.00000 H1 H 0.64939 0.19950 0.85043 1.00000 H2 H 0.39965 0.88465 0.73018 1.00000 H3 H 0.35061 0.80050 0.14957 1.00000 H4 H 0.07566 0.35172 0.92199 1.00000 H5 H 0.92434 0.64828 0.07801 1.00000 H6 H 0.69823 0.54538 0.61442 1.00000 H7 H 0.30177 0.45462 0.38558 1.00000 H8 H 0.60035 0.11535 0.26982 1.00000 Pd1 Pd 0.67719 0.22394 0.51480 1.00000 Pd2 Pd 0.32281 0.77606 0.48520 1.00000