# CIF generated by HEAS from Alexandria entry agm005754277 data_agm005754277 _cell_length_a 4.65149 _cell_length_b 8.22782 _cell_length_c 13.68573 _cell_angle_alpha 89.99999 _cell_angle_beta 90.00000 _cell_angle_gamma 106.41951 _cell_volume 502.41422 _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 0.61589 0.23178 0.07619 1.00000 Ba2 Ba 0.10509 0.21018 0.75000 1.00000 Ba3 Ba 0.61589 0.23178 0.42381 1.00000 Ba4 Ba 0.89491 0.78982 0.25000 1.00000 Ba5 Ba 0.38411 0.76822 0.92381 1.00000 Ba6 Ba 0.38411 0.76822 0.57619 1.00000 S1 S 0.00000 0.00000 0.00000 1.00000 S2 S 0.00000 0.00000 0.50000 1.00000 S3 S 0.50675 0.01349 0.25000 1.00000 S4 S 0.49325 0.98651 0.75000 1.00000 Br1 Br 0.22746 0.45492 0.25000 1.00000 Br2 Br 0.77254 0.54508 0.75000 1.00000