# CIF generated by HEAS from Alexandria entry agm005772364 data_agm005772364 _cell_length_a 4.78001 _cell_length_b 5.47351 _cell_length_c 5.47351 _cell_angle_alpha 100.99150 _cell_angle_beta 115.89029 _cell_angle_gamma 64.10971 _cell_volume 115.90183 _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 Br1 Br 0.75000 0.50000 0.50000 1.00000 Cl1 Cl 0.50000 0.00000 0.00000 1.00000 O1 O 0.45732 0.97936 0.24412 1.00000 O2 O 0.19256 0.02064 0.75588 1.00000 O3 O 0.56332 0.24412 0.02064 1.00000 O4 O 0.78680 0.75588 0.97936 1.00000