Bulk_VBiO4_HSE06 1.0 5.08818698 0.00000000 0.00000000 0.00000000 5.08818698 0.00000000 0.00000000 0.00000000 11.50032633 V Bi O 4 4 16 Direct 0.50000000 0.50000000 0.00000000 # 1 V0 0.50000000 0.00000000 0.25000000 # 2 V1 0.00000000 0.00000000 0.50000000 # 3 V2 0.00000000 0.50000000 0.75000000 # 4 V3 0.00000000 0.00000000 0.00000000 # 5 Bi4 0.00000000 0.50000000 0.25000000 # 6 Bi5 0.50000000 0.50000000 0.50000000 # 7 Bi6 0.50000000 0.00000000 0.75000000 # 8 Bi7 0.14154083 0.74997220 0.41973048 # 9 O8 0.75002780 0.14154083 0.16973048 # 10 O9 0.24997220 0.85845917 0.16973048 # 11 O10 0.85845917 0.25002780 0.41973048 # 12 O11 0.64154083 0.74997220 0.33026952 # 13 O12 0.75002780 0.64154083 0.08026952 # 14 O13 0.35845917 0.25002780 0.33026952 # 15 O14 0.24997220 0.35845917 0.08026952 # 16 O15 0.64154083 0.24997220 0.91973048 # 17 O16 0.25002780 0.64154083 0.66973048 # 18 O17 0.74997220 0.35845917 0.66973048 # 19 O18 0.35845917 0.75002780 0.91973048 # 20 O19 0.14154083 0.24997220 0.83026952 # 21 O20 0.25002780 0.14154083 0.58026952 # 22 O21 0.85845917 0.75002780 0.83026952 # 23 O22 0.74997220 0.85845917 0.58026952 # 24 O23