# CIF generated by HEAS from Alexandria entry agm020065740 data_agm020065740 _cell_length_a 7.12176 _cell_length_b 9.41944 _cell_length_c 8.79269 _cell_angle_alpha 90.00000 _cell_angle_beta 109.10219 _cell_angle_gamma 90.00000 _cell_volume 557.36108 _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 0.52435 0.73366 0.11881 1.00000 Ba2 Ba 0.47565 0.23366 0.38119 1.00000 Ba3 Ba 0.47565 0.26634 0.88119 1.00000 Ba4 Ba 0.52435 0.76634 0.61881 1.00000 Zr1 Zr 0.00000 0.00000 0.00000 1.00000 Zr2 Zr 0.00000 0.50000 0.50000 1.00000 Cu1 Cu 0.98637 0.94966 0.34569 1.00000 Cu2 Cu 0.01363 0.44966 0.15431 1.00000 Cu3 Cu 0.01363 0.05034 0.65431 1.00000 Cu4 Cu 0.98637 0.55034 0.84569 1.00000 Cu5 Cu 0.08960 0.72578 0.20637 1.00000 Cu6 Cu 0.91040 0.22578 0.29363 1.00000 Cu7 Cu 0.91040 0.27422 0.79363 1.00000 Cu8 Cu 0.08960 0.77422 0.70637 1.00000 S1 S 0.13053 0.26555 0.04265 1.00000 S2 S 0.86947 0.76555 0.45735 1.00000 S3 S 0.86947 0.73445 0.95735 1.00000 S4 S 0.13053 0.23445 0.54265 1.00000 S5 S 0.26754 0.54825 0.36079 1.00000 S6 S 0.73246 0.04825 0.13921 1.00000 S7 S 0.73246 0.45175 0.63921 1.00000 S8 S 0.26754 0.95175 0.86079 1.00000 S9 S 0.27251 0.93305 0.27969 1.00000 S10 S 0.72749 0.43305 0.22031 1.00000 S11 S 0.72749 0.06695 0.72031 1.00000 S12 S 0.27251 0.56695 0.77969 1.00000