# CIF generated by HEAS from Alexandria entry agm007694444 data_agm007694444 _cell_length_a 4.62450 _cell_length_b 4.62414 _cell_length_c 6.98729 _cell_angle_alpha 70.77256 _cell_angle_beta 70.69759 _cell_angle_gamma 60.05672 _cell_volume 119.70362 _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 0.50000 1.00000 Tl1 Tl 0.00000 0.00000 0.00000 1.00000 H1 H 0.56301 0.56399 0.74443 1.00000 H2 H 0.12921 0.56331 0.74433 1.00000 H3 H 0.43688 0.86931 0.25548 1.00000 H4 H 0.43699 0.43601 0.25557 1.00000 H5 H 0.87079 0.43669 0.25567 1.00000 H6 H 0.56312 0.13069 0.74452 1.00000 Pd1 Pd 0.79730 0.79801 0.60795 1.00000 Pd2 Pd 0.20270 0.20199 0.39205 1.00000