# CIF generated by HEAS from Alexandria entry agm006252151 data_agm006252151 _cell_length_a 7.05895 _cell_length_b 7.29074 _cell_length_c 8.94136 _cell_angle_alpha 113.68962 _cell_angle_beta 111.50304 _cell_angle_gamma 82.48469 _cell_volume 391.98837 _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 0.30988 0.28970 0.56076 1.00000 Ba2 Ba 0.68998 0.71032 0.43922 1.00000 Fe1 Fe 0.00013 0.99998 0.00001 1.00000 H1 H 0.21568 0.82296 0.79054 1.00000 H2 H 0.67026 0.21351 0.03445 1.00000 H3 H 0.84418 0.63259 0.88915 1.00000 H4 H 0.05217 0.28257 0.89761 1.00000 H5 H 0.78441 0.17685 0.20944 1.00000 H6 H 0.32996 0.78633 0.96553 1.00000 H7 H 0.15572 0.36751 0.11082 1.00000 H8 H 0.94767 0.71746 0.10234 1.00000 S1 S 0.19227 0.71173 0.43619 1.00000 S2 S 0.80758 0.28841 0.56385 1.00000 Br1 Br 0.50010 0.49992 0.99999 1.00000 O1 O 0.33296 0.88624 0.51268 1.00000 O2 O 0.15081 0.67914 0.57770 1.00000 O3 O 0.00733 0.25862 0.68628 1.00000 O4 O 0.70584 0.47168 0.65356 1.00000 O5 O 0.66696 0.11387 0.48750 1.00000 O6 O 0.84901 0.32080 0.42224 1.00000 O7 O 0.99256 0.74169 0.31383 1.00000 O8 O 0.29395 0.52849 0.34635 1.00000 O9 O 0.24721 0.88515 0.91946 1.00000 O10 O 0.75299 0.11468 0.08053 1.00000 O11 O 0.94669 0.72552 0.99335 1.00000 O12 O 0.05341 0.27437 0.00662 1.00000 F1 F 0.17392 0.07042 0.23418 1.00000 F2 F 0.82638 0.92948 0.76582 1.00000