# CIF generated by HEAS from Alexandria entry agm004714849 data_agm004714849 _cell_length_a 9.54218 _cell_length_b 9.72535 _cell_length_c 9.54477 _cell_angle_alpha 119.37997 _cell_angle_beta 119.99101 _cell_angle_gamma 90.00000 _cell_volume 632.22056 _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 0.24210 0.72129 0.97909 1.00000 Ba2 Ba 0.24278 0.72206 0.48557 1.00000 Ba3 Ba 0.26029 0.28077 0.52059 1.00000 Ba4 Ba 0.73700 0.72129 0.97909 1.00000 Ba5 Ba 0.26300 0.27871 0.02091 1.00000 Ba6 Ba 0.73971 0.71923 0.47941 1.00000 Ba7 Ba 0.75722 0.27794 0.51443 1.00000 Ba8 Ba 0.75790 0.27871 0.02091 1.00000 Cu1 Cu 0.00000 0.50000 0.00000 1.00000 As1 As 0.50000 0.50000 0.00000 1.00000 As2 As 0.50000 0.50000 0.50000 1.00000 As3 As 0.00000 0.50000 0.50000 1.00000 Br1 Br 0.50000 0.00000 0.00000 1.00000 Br2 Br 0.50000 0.00000 0.50000 1.00000 Br3 Br 0.00000 0.00000 0.00000 1.00000 Br4 Br 0.00000 0.00000 0.50000 1.00000