# CIF generated by HEAS from Alexandria entry agm002000537 data_agm002000537 _cell_length_a 3.41368 _cell_length_b 3.41368 _cell_length_c 9.71976 _cell_angle_alpha 79.88611 _cell_angle_beta 79.88611 _cell_angle_gamma 60.00000 _cell_volume 96.05406 _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 0.11384 0.11384 0.65849 1.00000 Pa2 Pa 0.88616 0.88616 0.34151 1.00000 Th1 Th 0.00000 0.00000 0.00000 1.00000