# CIF generated by HEAS from Alexandria entry agm006050002 data_agm006050002 _cell_length_a 4.53188 _cell_length_b 4.74864 _cell_length_c 11.38904 _cell_angle_alpha 89.99999 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 245.09525 _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 0.54235 0.78664 0.50000 1.00000 Ba2 Ba 0.04235 0.21336 0.00000 1.00000 Cu1 Cu 0.57577 0.68992 0.87040 1.00000 Cu2 Cu 0.06315 0.79666 0.25033 1.00000 Cu3 Cu 0.56315 0.20334 0.24967 1.00000 Cu4 Cu 0.07577 0.31008 0.62960 1.00000 Cu5 Cu 0.07577 0.31008 0.37040 1.00000 Cu6 Cu 0.57577 0.68992 0.12960 1.00000 Cu7 Cu 0.06315 0.79666 0.74967 1.00000 Cu8 Cu 0.56315 0.20334 0.75033 1.00000 H1 H 0.95053 0.71765 0.11832 1.00000 H2 H 0.45053 0.28235 0.38168 1.00000 H3 H 0.53673 0.34176 0.88224 1.00000 H4 H 0.03673 0.65824 0.61776 1.00000 H5 H 0.03673 0.65824 0.38224 1.00000 H6 H 0.53673 0.34176 0.11776 1.00000 H7 H 0.43481 0.86038 0.75344 1.00000 H8 H 0.93481 0.13962 0.74656 1.00000 H9 H 0.93481 0.13962 0.25344 1.00000 H10 H 0.43481 0.86038 0.24656 1.00000 H11 H 0.49049 0.83281 0.00000 1.00000 H12 H 0.99049 0.16719 0.50000 1.00000 H13 H 0.95053 0.71765 0.88168 1.00000 H14 H 0.45053 0.28235 0.61832 1.00000