# CIF generated by HEAS from Alexandria entry agm005233597 data_agm005233597 _cell_length_a 4.76908 _cell_length_b 10.99392 _cell_length_c 13.23066 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 693.69518 _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 0.51203 0.56242 0.34054 1.00000 Ba2 Ba 0.98797 0.43758 0.84054 1.00000 Ba3 Ba 0.01203 0.93758 0.65946 1.00000 Ba4 Ba 0.48797 0.06242 0.15946 1.00000 H1 H 0.18735 0.75129 0.90341 1.00000 H2 H 0.31265 0.24871 0.40341 1.00000 H3 H 0.68735 0.74871 0.09659 1.00000 H4 H 0.81265 0.25129 0.59659 1.00000 H5 H 0.46023 0.57860 0.63855 1.00000 H6 H 0.03977 0.42140 0.13855 1.00000 H7 H 0.96023 0.92140 0.36145 1.00000 H8 H 0.53977 0.07860 0.86145 1.00000 S1 S 0.55801 0.71372 0.81614 1.00000 S2 S 0.94199 0.28628 0.31614 1.00000 S3 S 0.05801 0.78628 0.18386 1.00000 S4 S 0.44199 0.21372 0.68386 1.00000 S5 S 0.05700 0.58057 0.56789 1.00000 S6 S 0.44300 0.41943 0.06789 1.00000 S7 S 0.55700 0.91943 0.43211 1.00000 S8 S 0.94300 0.08057 0.93211 1.00000 O1 O 0.51956 0.81914 0.74965 1.00000 O2 O 0.98044 0.18086 0.24965 1.00000 O3 O 0.01956 0.68086 0.25035 1.00000 O4 O 0.48044 0.31914 0.75035 1.00000 O5 O 0.84737 0.69631 0.85038 1.00000 O6 O 0.65263 0.30369 0.35038 1.00000 O7 O 0.34737 0.80369 0.14962 1.00000 O8 O 0.15263 0.19631 0.64962 1.00000 O9 O 0.44490 0.60004 0.77171 1.00000 O10 O 0.05510 0.39996 0.27171 1.00000 O11 O 0.94490 0.89996 0.22829 1.00000 O12 O 0.55510 0.10004 0.72829 1.00000 O13 O 0.39024 0.73819 0.91755 1.00000 O14 O 0.10976 0.26181 0.41755 1.00000 O15 O 0.89024 0.76181 0.08245 1.00000 O16 O 0.60976 0.23819 0.58245 1.00000 O17 O 0.99559 0.55770 0.46058 1.00000 O18 O 0.50441 0.44230 0.96058 1.00000 O19 O 0.49559 0.94230 0.53942 1.00000 O20 O 0.00441 0.05770 0.03942 1.00000 O21 O 0.98466 0.70327 0.60089 1.00000 O22 O 0.51534 0.29673 0.10089 1.00000 O23 O 0.48466 0.79673 0.39911 1.00000 O24 O 0.01534 0.20327 0.89911 1.00000 O25 O 0.54950 0.51339 0.13611 1.00000 O26 O 0.95050 0.48661 0.63611 1.00000 O27 O 0.04950 0.98661 0.86389 1.00000 O28 O 0.45050 0.01339 0.36389 1.00000 O29 O 0.39179 0.56931 0.56735 1.00000 O30 O 0.10821 0.43069 0.06735 1.00000 O31 O 0.89179 0.93069 0.43265 1.00000 O32 O 0.60821 0.06931 0.93265 1.00000