# CIF generated by HEAS from Alexandria entry agm006809249 data_agm006809249 _cell_length_a 5.52718 _cell_length_b 5.52718 _cell_length_c 6.85298 _cell_angle_alpha 88.03766 _cell_angle_beta 88.03766 _cell_angle_gamma 104.31020 _cell_volume 202.54469 _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 Ba1 Ba 0.64665 0.35335 0.25000 1.00000 Ba2 Ba 0.35335 0.64665 0.75000 1.00000 Al1 Al 0.21797 0.78203 0.25000 1.00000 Al2 Al 0.78203 0.21797 0.75000 1.00000 H1 H 0.94610 0.05390 0.25000 1.00000 H2 H 0.05390 0.94610 0.75000 1.00000 H3 H 0.49220 0.80792 0.35887 1.00000 H4 H 0.50780 0.19208 0.64113 1.00000 H5 H 0.19208 0.50780 0.14113 1.00000 H6 H 0.80792 0.49220 0.85887 1.00000 H7 H 0.68677 0.99548 0.96790 1.00000 H8 H 0.31323 0.00452 0.03210 1.00000 H9 H 0.00452 0.31323 0.53210 1.00000 H10 H 0.99548 0.68677 0.46790 1.00000 Pd1 Pd 0.00000 0.00000 0.00000 1.00000 Pd2 Pd 0.00000 0.00000 0.50000 1.00000