$cell vectors
1.0
  6.3123970297521268    0.0000000000000000    0.0000000000000000
  0.0000000000000000    6.3123970297521268    0.0000000000000000
  0.0000000000000000    0.0000000000000000    9.5494955065613585
 2 2 4 16
Direct
  0.2500000000000000    0.2500000000000000    0.2500000000000002 # Tl1
  0.7499999999999998    0.7499999999999998    0.7499999999999999 # Tl2
  0.2500000000000000    0.2500000000000000    0.7499999999999999 # Pr1
  0.7499999999999998    0.7499999999999998    0.2500000000000002 # Pr2
  0.2500000000000000    0.7499999999999998    0.0000000000000000 # Mo1
  0.7499999999999998    0.2500000000000000    0.0000000000000000 # Mo2
  0.2500000000000000    0.7499999999999998    0.4999999999999996 # Mo3
  0.7499999999999998    0.2500000000000000    0.4999999999999996 # Mo4
  0.1392000000000000    0.5610999999999998    0.8917000000000000 # O1
  0.8607999999999999    0.4389000000000001    0.1083000000000001 # O2
  0.9388999999999992    0.1392000000000000    0.8917000000000000 # O3
  0.0610999999999998    0.8607999999999999    0.1083000000000001 # O4
  0.3608000000000000    0.9388999999999992    0.8917000000000000 # O5
  0.6391999999999999    0.0610999999999998    0.1083000000000001 # O6
  0.5610999999999998    0.3608000000000000    0.8917000000000000 # O7
  0.4389000000000001    0.6391999999999999    0.1083000000000001 # O8
  0.1392000000000000    0.9388999999999992    0.6082999999999997 # O9
  0.8607999999999999    0.0610999999999998    0.3917000000000002 # O10
  0.3608000000000000    0.5610999999999998    0.6082999999999997 # O11
  0.6391999999999999    0.4389000000000001    0.3917000000000002 # O12
  0.5610999999999998    0.1392000000000000    0.6082999999999997 # O13
  0.4389000000000001    0.8607999999999999    0.3917000000000002 # O14
  0.9388999999999992    0.3608000000000000    0.6082999999999997 # O15
  0.0610999999999998    0.6391999999999999    0.3917000000000002 # O16