# CIF generated by HEAS from Alexandria entry agm004759727 data_agm004759727 _cell_length_a 4.20891 _cell_length_b 5.09176 _cell_length_c 8.83688 _cell_angle_alpha 106.74407 _cell_angle_beta 103.77707 _cell_angle_gamma 90.00000 _cell_volume 175.65394 _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 0.64549 0.64549 0.29098 1.00000 Ba2 Ba 0.35451 0.35451 0.70902 1.00000 Zr1 Zr 0.00000 0.00000 0.00000 1.00000 S1 S 0.00000 0.50000 0.00000 1.00000 S2 S 0.16112 0.16112 0.32224 1.00000 S3 S 0.83888 0.83888 0.67776 1.00000 O1 O 0.50000 0.00000 0.00000 1.00000