# CIF generated by HEAS from Alexandria entry agm007407136 data_agm007407136 _cell_length_a 4.37337 _cell_length_b 4.37337 _cell_length_c 7.52696 _cell_angle_alpha 113.67322 _cell_angle_beta 113.67322 _cell_angle_gamma 71.84691 _cell_volume 118.79846 _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 0.00000 0.00000 0.50000 1.00000 Cu1 Cu 0.47046 0.47046 0.15922 1.00000 Cu2 Cu 0.52954 0.52954 0.84078 1.00000 H1 H 0.56674 0.56674 0.40073 1.00000 H2 H 0.21317 0.21317 0.96058 1.00000 H3 H 0.43326 0.43326 0.59927 1.00000 H4 H 0.33258 0.89448 0.19639 1.00000 H5 H 0.66742 0.10552 0.80361 1.00000 H6 H 0.89448 0.33258 0.19639 1.00000 H7 H 0.10552 0.66742 0.80361 1.00000 H8 H 0.78683 0.78683 0.03942 1.00000 Pd1 Pd 0.00000 0.00000 0.00000 1.00000