# CIF generated by HEAS from Alexandria entry agm007019965 data_agm007019965 _cell_length_a 6.42375 _cell_length_b 6.42375 _cell_length_c 6.42375 _cell_angle_alpha 122.50082 _cell_angle_beta 117.31023 _cell_angle_gamma 90.22232 _cell_volume 187.22180 _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 0.86917 0.11917 0.75000 1.00000 Ba2 Ba 0.13083 0.88083 0.25000 1.00000 Cu1 Cu 0.50000 0.00000 0.00000 1.00000 Cu2 Cu 0.50000 0.50000 0.50000 1.00000 H1 H 0.82077 0.57077 0.25000 1.00000 H2 H 0.42170 0.17170 0.25000 1.00000 H3 H 0.42667 0.57785 0.25598 1.00000 H4 H 0.82187 0.17069 0.24402 1.00000 H5 H 0.42667 0.17069 0.84882 1.00000 H6 H 0.82187 0.57785 0.65118 1.00000 H7 H 0.17923 0.42923 0.75000 1.00000 H8 H 0.57830 0.82830 0.75000 1.00000 H9 H 0.57333 0.42215 0.74402 1.00000 H10 H 0.17813 0.82931 0.75598 1.00000 H11 H 0.57333 0.82931 0.15118 1.00000 H12 H 0.17813 0.42215 0.34882 1.00000 Pd1 Pd 0.00000 0.50000 0.50000 1.00000 Pd2 Pd 0.50000 0.50000 0.00000 1.00000