data_crystal _cell_length_a 15.65290 _cell_length_b 15.65290 _cell_length_c 6.70050 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _space_group_name_Hall 'P 1' _space_group_name_H-M_alt 'P 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 B B 0.05413 0.10826 0.25000 O O 0.38831 0.77662 0.25000 C C 0.21953 0.43906 0.25000 B B 0.89174 0.94587 0.25000 O O 0.22338 0.61169 0.25000 C C 0.56094 0.78047 0.25000 B B 0.05413 0.94587 0.25000 O O 0.38831 0.61169 0.25000 C C 0.21953 0.78047 0.25000 B B 0.94587 0.89174 0.75000 O O 0.61169 0.22338 0.75000 C C 0.78047 0.56094 0.75000 B B 0.10827 0.05413 0.75000 O O 0.77662 0.38831 0.75000 C C 0.43906 0.21953 0.75000 B B 0.94587 0.05413 0.75000 O O 0.61169 0.38831 0.75000 C C 0.78047 0.21953 0.75000 B B 0.44176 0.72088 0.25000 B B 0.27912 0.72088 0.25000 B B 0.27912 0.55824 0.25000 B B 0.55824 0.27912 0.75000 B B 0.72088 0.27912 0.75000 B B 0.72088 0.44176 0.75000 O O 0.10990 0.05495 0.25000 O O 0.94505 0.05495 0.25000 O O 0.94505 0.89010 0.25000 O O 0.89010 0.94505 0.75000 O O 0.05495 0.94505 0.75000 O O 0.05495 0.10990 0.75000 C C 0.11551 0.38512 0.25000 C C 0.21749 0.28091 0.25000 H H 0.07394 0.42341 0.25000 H H 0.25899 0.24251 0.25000 C C 0.61488 0.73039 0.25000 C C 0.71909 0.93659 0.25000 H H 0.57659 0.65052 0.25000 H H 0.75749 0.01648 0.25000 C C 0.26961 0.88449 0.25000 C C 0.06341 0.78251 0.25000 H H 0.34948 0.92606 0.25000 H H 0.98352 0.74101 0.25000 C C 0.88449 0.61488 0.75000 C C 0.78251 0.71909 0.75000 H H 0.92606 0.57659 0.75000 H H 0.74101 0.75749 0.75000 C C 0.38512 0.26961 0.75000 C C 0.28091 0.06341 0.75000 H H 0.42341 0.34948 0.75000 H H 0.24251 0.98352 0.75000 C C 0.73039 0.11551 0.75000 C C 0.93659 0.21749 0.75000 H H 0.65052 0.07394 0.75000 H H 0.01648 0.25899 0.75000 C C 0.38512 0.11551 0.75000 C C 0.28091 0.21749 0.75000 H H 0.42341 0.07394 0.75000 H H 0.24251 0.25899 0.75000 C C 0.73039 0.61488 0.75000 C C 0.93659 0.71909 0.75000 H H 0.65052 0.57659 0.75000 H H 0.01648 0.75749 0.75000 C C 0.88449 0.26961 0.75000 C C 0.78251 0.06341 0.75000 H H 0.92606 0.34948 0.75000 H H 0.74101 0.98352 0.75000 C C 0.61488 0.88449 0.25000 C C 0.71909 0.78251 0.25000 H H 0.57659 0.92606 0.25000 H H 0.75749 0.74101 0.25000 C C 0.26961 0.38512 0.25000 C C 0.06341 0.28091 0.25000 H H 0.34948 0.42341 0.25000 H H 0.98352 0.24251 0.25000 C C 0.11551 0.73039 0.25000 C C 0.21749 0.93659 0.25000 H H 0.07394 0.65052 0.25000 H H 0.25899 0.01648 0.25000 C C 0.11355 0.88645 0.25000 C C 0.11355 0.22710 0.25000 C C 0.77290 0.88645 0.25000 C C 0.88645 0.11355 0.75000 C C 0.88645 0.77290 0.75000 C C 0.22710 0.11355 0.75000