# CIF generated by HEAS from Alexandria entry agm078029902 data_agm078029902 _cell_length_a 3.79882 _cell_length_b 3.79882 _cell_length_c 6.60081 _cell_angle_alpha 80.66331 _cell_angle_beta 99.33669 _cell_angle_gamma 89.81196 _cell_volume 92.70656 _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 Th1 Th 0.68537 0.31463 0.78477 1.00000 Th2 Th 0.31463 0.68537 0.21523 1.00000 B1 B 0.88885 0.11115 0.39706 1.00000 B2 B 0.11115 0.88885 0.60294 1.00000 C1 C 0.79636 0.20364 0.16674 1.00000 C2 C 0.20364 0.79636 0.83326 1.00000