# CIF generated by HEAS from Alexandria entry agm005696038 data_agm005696038 _cell_length_a 5.37626 _cell_length_b 8.56033 _cell_length_c 5.95351 _cell_angle_alpha 135.96631 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 190.44927 _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 0.75000 0.37505 0.00001 1.00000 Ba2 Ba 0.25000 0.87505 0.99999 1.00000 H1 H 0.75000 0.17750 0.36791 1.00000 H2 H 0.25000 0.30958 0.63209 1.00000 H3 H 0.25000 0.44056 0.36798 1.00000 H4 H 0.75000 0.57258 0.63202 1.00000 Pd1 Pd 0.00000 0.37504 0.50000 1.00000 Pd2 Pd 0.50000 0.37504 0.50000 1.00000