$cell vectors 1.0 8.8639958291177443 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.8639958291177443 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.0199962262549924 12 8 Direct 0.1519999999999997 0.1519999999999997 0.2680000000000005 # Ca1 0.2049999999999997 0.2049999999999997 0.7420000000000003 # Ca2 0.0000000000000000 0.5000000000000000 0.5170000000000000 # Ca3 0.3480000000000001 0.6519999999999996 0.7680000000000005 # Ca4 0.2950000000000002 0.7049999999999997 0.2420000000000003 # Ca5 0.0000000000000000 0.5000000000000000 0.0170000000000000 # Ca6 0.8480000000000001 0.8479999999999994 0.2680000000000005 # Ca7 0.7949999999999995 0.7950000000000000 0.7420000000000003 # Ca8 0.6519999999999996 0.3480000000000001 0.7680000000000005 # Ca9 0.7049999999999997 0.2950000000000002 0.2420000000000003 # Ca10 0.5000000000000000 0.0000000000000000 0.0170000000000000 # Ca11 0.5000000000000000 0.0000000000000000 0.5170000000000000 # Ca12 0.3769999999999999 0.3769999999999999 0.0479999999999999 # Cd1 0.3960000000000001 0.3960000000000001 0.4560000000000001 # Cd2 0.1229999999999999 -0.1229999999999999 0.5479999999999998 # Cd3 0.1039999999999999 -0.1039999999999999 0.9560000000000001 # Cd4 0.6229999999999998 0.6229999999999998 0.0479999999999999 # Cd5 0.6039999999999998 0.6039999999999998 0.4560000000000001 # Cd6 -0.1229999999999999 0.1229999999999999 0.5479999999999998 # Cd7 -0.1039999999999999 0.1040000000000004 0.9560000000000001 # Cd8