# CIF generated by HEAS from Alexandria entry agm005677459 data_agm005677459 _cell_length_a 7.80457 _cell_length_b 10.50134 _cell_length_c 10.50134 _cell_angle_alpha 86.62490 _cell_angle_beta 80.14450 _cell_angle_gamma 80.14449 _cell_volume 835.07025 _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 0.25000 0.12975 0.87025 1.00000 Ba2 Ba 0.75000 0.87025 0.12975 1.00000 Fe1 Fe 0.23040 0.62600 0.76866 1.00000 Fe2 Fe 0.26960 0.23134 0.37400 1.00000 Fe3 Fe 0.76960 0.37400 0.23134 1.00000 Fe4 Fe 0.73040 0.76866 0.62600 1.00000 I1 I 0.43264 0.71905 0.57016 1.00000 I2 I 0.06736 0.42984 0.28095 1.00000 I3 I 0.56736 0.28095 0.42984 1.00000 I4 I 0.93264 0.57016 0.71905 1.00000 I5 I 0.90989 0.85067 0.41461 1.00000 I6 I 0.59011 0.58539 0.14933 1.00000 I7 I 0.09011 0.14933 0.58539 1.00000 I8 I 0.40989 0.41461 0.85067 1.00000 I9 I 0.17254 0.80206 0.95173 1.00000 I10 I 0.32746 0.04827 0.19794 1.00000 I11 I 0.82746 0.19794 0.04827 1.00000 I12 I 0.67254 0.95173 0.80206 1.00000