# CIF generated by HEAS from Alexandria entry agm004904591 data_agm004904591 _cell_length_a 5.01037 _cell_length_b 6.48955 _cell_length_c 8.86245 _cell_angle_alpha 86.55258 _cell_angle_beta 81.23344 _cell_angle_gamma 72.93883 _cell_volume 272.22727 _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 0.00000 0.00000 0.50000 1.00000 Tc1 Tc 0.38643 0.37963 0.72530 1.00000 Tc2 Tc 0.61357 0.62037 0.27470 1.00000 I1 I 0.00000 0.00000 0.00000 1.00000 O1 O 0.25764 0.63674 0.29060 1.00000 O2 O 0.73931 0.67090 0.08786 1.00000 O3 O 0.80393 0.36735 0.33765 1.00000 O4 O 0.74236 0.36326 0.70940 1.00000 O5 O 0.26069 0.32910 0.91214 1.00000 O6 O 0.19607 0.63265 0.66235 1.00000 O7 O 0.62259 0.82857 0.39142 1.00000 O8 O 0.37742 0.17143 0.60858 1.00000