$cell vectors
1.0
 11.9399943817312515    0.0000000000000000    0.0000000000000000
  0.0000000000000000   11.9399943817312515    0.0000000000000000
  0.0000000000000000    0.0000000000000000   17.3999918125731838
 44 40
Direct
  0.0000000000000000    0.2520000000000001    0.1890000000000001 # Ca1
  0.1670000000000000    0.1670000000000000    0.0000000000000000 # Ca2
  0.0000000000000000    0.0000000000000000    0.3370000000000000 # Ca3
  0.0000000000000000    0.3380000000000005    0.3959999999999999 # Ca4
  0.5000000000000000    0.7520000000000006    0.6889999999999999 # Ca5
  0.6670000000000005    0.6670000000000005    0.4999999999999998 # Ca6
  0.5000000000000000    0.8380000000000004    0.8959999999999998 # Ca7
  0.0000000000000000    0.7480000000000004    0.8109999999999997 # Ca8
  0.0000000000000000    0.0000000000000000    0.6629999999999997 # Ca9
  0.0000000000000000    0.6620000000000001    0.6039999999999999 # Ca10
  0.5000000000000000    0.2480000000000000    0.3110000000000001 # Ca11
  0.5000000000000000    0.1620000000000001    0.1040000000000000 # Ca12
  0.7480000000000000    0.0000000000000000    0.1890000000000001 # Ca13
  0.8330000000000001    0.1670000000000000    0.0000000000000000 # Ca14
  0.6620000000000001    0.0000000000000000    0.3959999999999999 # Ca15
  0.2480000000000000    0.5000000000000000    0.6889999999999999 # Ca16
  0.3330000000000001    0.6670000000000005    0.4999999999999998 # Ca17
  0.1620000000000001    0.5000000000000000    0.8959999999999998 # Ca18
  0.2520000000000001    0.0000000000000000    0.8109999999999997 # Ca19
  0.1670000000000000    0.8330000000000001    0.0000000000000000 # Ca20
  0.3380000000000005    0.0000000000000000    0.6039999999999999 # Ca21
  0.7519999999999999    0.5000000000000000    0.3110000000000001 # Ca22
  0.6670000000000005    0.3330000000000001    0.4999999999999998 # Ca23
  0.5000000000000000    0.5000000000000000    0.1629999999999999 # Ca24
  0.8379999999999999    0.5000000000000000    0.1040000000000000 # Ca25
  0.0000000000000000    0.7480000000000000    0.1890000000000001 # Ca26
  0.8330000000000001    0.8330000000000001    0.0000000000000000 # Ca27
  0.0000000000000000    0.6620000000000001    0.3959999999999999 # Ca28
  0.5000000000000000    0.2480000000000000    0.6889999999999999 # Ca29
  0.3330000000000001    0.3330000000000001    0.4999999999999998 # Ca30
  0.5000000000000000    0.5000000000000000    0.8369999999999997 # Ca31
  0.5000000000000000    0.1620000000000001    0.8959999999999998 # Ca32
  0.0000000000000000    0.2520000000000001    0.8109999999999997 # Ca33
  0.0000000000000000    0.3380000000000005    0.6039999999999999 # Ca34
  0.5000000000000000    0.7519999999999999    0.3110000000000001 # Ca35
  0.5000000000000000    0.8379999999999999    0.1040000000000000 # Ca36
  0.2520000000000001    0.0000000000000000    0.1890000000000001 # Ca37
  0.3380000000000000    0.0000000000000000    0.3959999999999999 # Ca38
  0.7519999999999999    0.5000000000000000    0.6889999999999999 # Ca39
  0.8380000000000004    0.5000000000000000    0.8959999999999998 # Ca40
  0.7480000000000000    0.0000000000000000    0.8109999999999997 # Ca41
  0.6620000000000001    0.0000000000000000    0.6039999999999999 # Ca42
  0.2480000000000000    0.5000000000000000    0.3110000000000001 # Ca43
  0.1620000000000001    0.5000000000000000    0.1040000000000000 # Ca44
  0.3463999999999999    0.0000000000000000    0.0000000000000000 # Sb1
  0.0000000000000000    0.0000000000000000    0.1295999999999998 # Sb2
  0.3744000000000001    0.3744000000000001    0.0000000000000000 # Sb3
  0.0000000000000000    0.5000000000000000    0.2500000000000001 # Sb4
  0.2059999999999999    0.2059999999999999    0.3232000000000000 # Sb5
  0.8464000000000004    0.5000000000000000    0.4999999999999998 # Sb6
  0.5000000000000000    0.5000000000000000    0.6296000000000000 # Sb7
 -0.1255999999999999   -0.1255999999999999    0.4999999999999998 # Sb8
  0.5000000000000000    0.0000000000000000    0.7500000000000000 # Sb9
  0.7060000000000000    0.7060000000000004    0.8231999999999999 # Sb10
  0.0000000000000000    0.0000000000000000    0.8704000000000000 # Sb11
  0.0000000000000000    0.5000000000000000    0.7500000000000000 # Sb12
  0.7940000000000000    0.7940000000000000    0.6768000000000002 # Sb13
  0.1536000000000001    0.5000000000000000    0.4999999999999998 # Sb14
  0.1255999999999999    0.1255999999999999    0.4999999999999998 # Sb15
  0.2940000000000001    0.2940000000000001    0.1767999999999999 # Sb16
  0.0000000000000000    0.3463999999999999    0.0000000000000000 # Sb17
  0.6255999999999999    0.3744000000000001    0.0000000000000000 # Sb18
  0.7940000000000000    0.2059999999999999    0.3232000000000000 # Sb19
  0.5000000000000000    0.8464000000000004    0.4999999999999998 # Sb20
  0.1255999999999999   -0.1255999999999999    0.4999999999999998 # Sb21
  0.2940000000000001    0.7060000000000004    0.8231999999999999 # Sb22
  0.0000000000000000    0.6536000000000001    0.0000000000000000 # Sb23
  0.3744000000000001    0.6255999999999999    0.0000000000000000 # Sb24
  0.2059999999999999    0.7940000000000000    0.6768000000000002 # Sb25
  0.5000000000000000    0.1536000000000001    0.4999999999999998 # Sb26
  0.5000000000000000    0.5000000000000000    0.3704000000000001 # Sb27
 -0.1255999999999999    0.1255999999999999    0.4999999999999998 # Sb28
  0.7060000000000000    0.2940000000000001    0.1767999999999999 # Sb29
  0.6536000000000001    0.0000000000000000    0.0000000000000000 # Sb30
  0.6255999999999999    0.6255999999999999    0.0000000000000000 # Sb31
  0.7940000000000000    0.7940000000000000    0.3232000000000000 # Sb32
  0.2940000000000001    0.2940000000000001    0.8231999999999999 # Sb33
  0.2059999999999999    0.2059999999999999    0.6768000000000002 # Sb34
  0.5000000000000000    0.0000000000000000    0.2500000000000001 # Sb35
  0.7060000000000000    0.7060000000000000    0.1767999999999999 # Sb36
  0.2059999999999999    0.7940000000000000    0.3232000000000000 # Sb37
  0.7060000000000000    0.2940000000000001    0.8231999999999999 # Sb38
  0.7940000000000000    0.2059999999999999    0.6768000000000002 # Sb39
  0.2940000000000001    0.7060000000000000    0.1767999999999999 # Sb40
