# CIF generated by HEAS from Alexandria entry agm002000529 data_agm002000529 _cell_length_a 3.38877 _cell_length_b 3.38877 _cell_length_c 9.67714 _cell_angle_alpha 79.91601 _cell_angle_beta 79.91601 _cell_angle_gamma 60.00000 _cell_volume 94.25407 _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 0.11324 0.11324 0.66029 1.00000 Pa2 Pa 0.88676 0.88676 0.33971 1.00000 Tm1 Tm 0.00000 0.00000 0.00000 1.00000