# CIF generated by HEAS from Alexandria entry agm006328107 data_agm006328107 _cell_length_a 21.07073 _cell_length_b 6.81831 _cell_length_c 6.78464 _cell_angle_alpha 60.51320 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 848.46963 _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 0.63090 0.61439 0.19562 1.00000 Ba2 Ba 0.13090 0.38561 0.80438 1.00000 Ca1 Ca 0.51928 0.91072 0.51834 1.00000 Ca2 Ca 0.01928 0.08928 0.48166 1.00000 B1 B 0.50218 0.32852 0.63955 1.00000 B2 B 0.00218 0.67148 0.36045 1.00000 B3 B 0.97986 0.98353 0.97277 1.00000 B4 B 0.47986 0.01647 0.02723 1.00000 B5 B 0.79068 0.58184 0.18399 1.00000 B6 B 0.29068 0.41816 0.81601 1.00000 B7 B 0.97935 0.40477 0.78972 1.00000 B8 B 0.47935 0.59523 0.21028 1.00000 B9 B 0.66059 0.94408 0.51872 1.00000 B10 B 0.16059 0.05592 0.48128 1.00000 B11 B 0.76534 0.76192 0.59809 1.00000 B12 B 0.26534 0.23808 0.40191 1.00000 B13 B 0.49874 0.41025 0.95464 1.00000 B14 B 0.99874 0.58975 0.04536 1.00000 B15 B 0.14045 0.79649 0.90885 1.00000 B16 B 0.64045 0.20351 0.09115 1.00000 B17 B 0.64709 0.12845 0.77605 1.00000 B18 B 0.14709 0.87155 0.22395 1.00000 B19 B 0.87820 0.19582 0.88630 1.00000 B20 B 0.37820 0.80418 0.11370 1.00000 B21 B 0.66712 0.52133 0.70477 1.00000 B22 B 0.16712 0.47867 0.29523 1.00000 H1 H 0.87599 0.71803 0.12334 1.00000 H2 H 0.37599 0.28197 0.87666 1.00000 H3 H 0.85637 0.64289 0.66244 1.00000 H4 H 0.35637 0.35711 0.33756 1.00000 H5 H 0.39143 0.71397 0.64681 1.00000 H6 H 0.89143 0.28603 0.35319 1.00000 H7 H 0.78047 0.92888 0.01663 1.00000 H8 H 0.28047 0.07112 0.98337 1.00000 H9 H 0.26159 0.76152 0.64442 1.00000 H10 H 0.76159 0.23848 0.35558 1.00000 H11 H 0.87829 0.01686 0.48831 1.00000 H12 H 0.37829 0.98314 0.51169 1.00000 H13 H 0.78730 0.32495 0.82148 1.00000 H14 H 0.28730 0.67505 0.17852 1.00000 O1 O 0.00472 0.89816 0.20901 1.00000 O2 O 0.50472 0.10184 0.79099 1.00000 O3 O 0.91005 0.99335 0.98507 1.00000 O4 O 0.41005 0.00665 0.01493 1.00000 O5 O 0.25090 0.60017 0.73149 1.00000 O6 O 0.75090 0.39983 0.26851 1.00000 O7 O 0.50036 0.48450 0.71863 1.00000 O8 O 0.00036 0.51550 0.28137 1.00000 O9 O 0.63927 0.96435 0.71897 1.00000 O10 O 0.13927 0.03565 0.28103 1.00000 O11 O 0.81279 0.18301 0.89270 1.00000 O12 O 0.31279 0.81699 0.10730 1.00000 O13 O 0.50272 0.57848 0.00750 1.00000 O14 O 0.00272 0.42152 0.99250 1.00000 O15 O 0.12938 0.86676 0.68392 1.00000 O16 O 0.62938 0.13324 0.31608 1.00000 O17 O 0.90928 0.40046 0.78763 1.00000 O18 O 0.40928 0.59954 0.21237 1.00000 O19 O 0.00406 0.60673 0.58568 1.00000 O20 O 0.50406 0.39327 0.41432 1.00000 O21 O 0.75750 0.78157 0.08622 1.00000 O22 O 0.25750 0.21843 0.91378 1.00000 O23 O 0.83069 0.78323 0.59004 1.00000 O24 O 0.33069 0.21677 0.40996 1.00000 O25 O 0.50702 0.80179 0.19324 1.00000 O26 O 0.00702 0.19821 0.80676 1.00000 O27 O 0.99563 0.81647 0.89454 1.00000 O28 O 0.49563 0.18353 0.10546 1.00000 O29 O 0.63467 0.73085 0.55000 1.00000 O30 O 0.13467 0.26915 0.45000 1.00000 O31 O 0.65408 0.35231 0.63043 1.00000 O32 O 0.15408 0.64769 0.36957 1.00000 O33 O 0.85584 0.56592 0.19663 1.00000 O34 O 0.35584 0.43408 0.80337 1.00000 O35 O 0.41138 0.86399 0.56088 1.00000 O36 O 0.91138 0.13601 0.43912 1.00000 O37 O 0.14510 0.94675 0.98979 1.00000 O38 O 0.64510 0.05325 0.01021 1.00000 O39 O 0.64349 0.42849 0.94018 1.00000 O40 O 0.14349 0.57151 0.05982 1.00000 O41 O 0.73002 0.95679 0.49778 1.00000 O42 O 0.23002 0.04321 0.50222 1.00000 O43 O 0.73712 0.55263 0.70226 1.00000 O44 O 0.23712 0.44737 0.29774 1.00000