# CIF generated by HEAS from Alexandria entry agm007751975 data_agm007751975 _cell_length_a 12.77330 _cell_length_b 12.77330 _cell_length_c 11.74403 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 1916.12370 _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 0.50000 0.00000 0.86118 1.00000 Ba2 Ba 0.00000 0.50000 0.13882 1.00000 Ba3 Ba 0.37938 0.12062 0.50300 1.00000 Ba4 Ba 0.12062 0.62062 0.49700 1.00000 Ba5 Ba 0.62062 0.87938 0.50300 1.00000 Ba6 Ba 0.87938 0.37938 0.49700 1.00000 Ba7 Ba 0.40167 0.29582 0.00494 1.00000 Ba8 Ba 0.09833 0.79582 0.99506 1.00000 Ba9 Ba 0.59833 0.70418 0.00494 1.00000 Ba10 Ba 0.90167 0.20418 0.99506 1.00000 Ba11 Ba 0.29582 0.59833 0.99506 1.00000 Ba12 Ba 0.20418 0.09833 0.00494 1.00000 Ba13 Ba 0.70418 0.40167 0.99506 1.00000 Ba14 Ba 0.79582 0.90167 0.00494 1.00000 Ba15 Ba 0.50000 0.00000 0.20471 1.00000 Ba16 Ba 0.00000 0.50000 0.79529 1.00000 Ba17 Ba 0.29571 0.41402 0.71221 1.00000 Ba18 Ba 0.20429 0.91402 0.28779 1.00000 Ba19 Ba 0.70429 0.58598 0.71221 1.00000 Ba20 Ba 0.79571 0.08598 0.28779 1.00000 Ba21 Ba 0.41402 0.70429 0.28779 1.00000 Ba22 Ba 0.08598 0.20429 0.71221 1.00000 Ba23 Ba 0.58598 0.29571 0.28779 1.00000 Ba24 Ba 0.91402 0.79571 0.71221 1.00000 Ba25 Ba 0.80470 0.07797 0.67652 1.00000 Ba26 Ba 0.69530 0.57797 0.32348 1.00000 Ba27 Ba 0.19530 0.92203 0.67652 1.00000 Ba28 Ba 0.30470 0.42203 0.32348 1.00000 Ba29 Ba 0.07797 0.19530 0.32348 1.00000 Ba30 Ba 0.42203 0.69530 0.67652 1.00000 Ba31 Ba 0.92203 0.80470 0.32348 1.00000 Ba32 Ba 0.57797 0.30470 0.67652 1.00000 P1 P 0.00000 0.00000 0.85950 1.00000 P2 P 0.50000 0.50000 0.14050 1.00000 P3 P 0.00000 0.00000 0.14050 1.00000 P4 P 0.50000 0.50000 0.85950 1.00000 P5 P 0.14225 0.35775 0.95849 1.00000 P6 P 0.35775 0.85775 0.04151 1.00000 P7 P 0.85775 0.64225 0.95849 1.00000 P8 P 0.64225 0.14225 0.04151 1.00000 P9 P 0.12804 0.37196 0.51444 1.00000 P10 P 0.37196 0.87196 0.48556 1.00000 P11 P 0.87196 0.62804 0.51444 1.00000 P12 P 0.62804 0.12804 0.48556 1.00000 P13 P 0.33634 0.16366 0.76370 1.00000 P14 P 0.16366 0.66366 0.23630 1.00000 P15 P 0.66366 0.83634 0.76370 1.00000 P16 P 0.83634 0.33634 0.23630 1.00000 P17 P 0.32021 0.17979 0.24471 1.00000 P18 P 0.17979 0.67979 0.75529 1.00000 P19 P 0.67979 0.82021 0.24471 1.00000 P20 P 0.82021 0.32021 0.75529 1.00000 P21 P 0.00000 0.00000 0.50000 1.00000 P22 P 0.50000 0.50000 0.50000 1.00000