# CIF generated by HEAS from Alexandria entry agm002000536 data_agm002000536 _cell_length_a 3.53715 _cell_length_b 3.53715 _cell_length_c 9.76864 _cell_angle_alpha 79.56930 _cell_angle_beta 79.56930 _cell_angle_gamma 60.00000 _cell_volume 103.50635 _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 B1 B 0.50000 0.50000 0.50000 1.00000 Pa1 Pa 0.00000 0.00000 0.00000 1.00000 Th1 Th 0.11203 0.11203 0.66392 1.00000 Th2 Th 0.88797 0.88797 0.33608 1.00000