# generated using pymatgen
data_Th(Al10V)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21676635
_cell_length_b   10.21678134
_cell_length_c   10.21678040
_cell_angle_alpha   59.99987806
_cell_angle_beta   60.00002885
_cell_angle_gamma   60.00002990
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Al10V)2
_chemical_formula_sum   'Th2 Al40 V4'
_cell_volume   754.09561169
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Th  Th0  1  0.50000182  0.49999638  0.49999955  1.0
  Th  Th1  1  0.74999943  0.74999998  0.75000170  1.0
  Al  Al2  1  0.12500518  0.62499699  0.62499874  1.0
  Al  Al3  1  0.62499853  0.12500474  0.62499806  1.0
  Al  Al4  1  0.62499909  0.62499690  0.12500492  1.0
  Al  Al5  1  0.62499903  0.62499708  0.62499867  1.0
  Al  Al6  1  0.86285543  0.86285106  0.13714320  1.0
  Al  Al7  1  0.13714910  0.13714423  0.86285038  1.0
  Al  Al8  1  0.86285547  0.13714420  0.86285032  1.0
  Al  Al9  1  0.13714937  0.86285123  0.13714321  1.0
  Al  Al10  1  0.13714532  0.86285498  0.86285418  1.0
  Al  Al11  1  0.86285440  0.13714616  0.13714488  1.0
  Al  Al12  1  0.38717069  0.38717936  0.11282493  1.0
  Al  Al13  1  0.11282547  0.11282573  0.38717958  1.0
  Al  Al14  1  0.38717005  0.11282574  0.38717967  1.0
  Al  Al15  1  0.11282591  0.38717937  0.11282488  1.0
  Al  Al16  1  0.11282240  0.38717721  0.38717816  1.0
  Al  Al17  1  0.38717222  0.11282855  0.11282726  1.0
  Al  Al18  1  0.56820928  0.29892967  0.29892955  1.0
  Al  Al19  1  0.29893134  0.56820849  0.83392859  1.0
  Al  Al20  1  0.29893094  0.83392858  0.56820939  1.0
  Al  Al21  1  0.83393160  0.29892968  0.29892946  1.0
  Al  Al22  1  0.29893079  0.29892805  0.56820796  1.0
  Al  Al23  1  0.56820878  0.83392829  0.29893108  1.0
  Al  Al24  1  0.83393313  0.56820695  0.29892839  1.0
  Al  Al25  1  0.29893074  0.29893123  0.83392813  1.0
  Al  Al26  1  0.29893132  0.56820693  0.29892843  1.0
  Al  Al27  1  0.83393300  0.29892807  0.56820795  1.0
  Al  Al28  1  0.56820888  0.29893115  0.83392816  1.0
  Al  Al29  1  0.29893082  0.83392829  0.29893113  1.0
  Al  Al30  1  0.68183678  0.95104382  0.95104280  1.0
  Al  Al31  1  0.95104235  0.68183690  0.41607850  1.0
  Al  Al32  1  0.95104244  0.41607756  0.68183776  1.0
  Al  Al33  1  0.41607645  0.95104390  0.95104278  1.0
  Al  Al34  1  0.95104222  0.95104531  0.68183809  1.0
  Al  Al35  1  0.68183787  0.41607835  0.95104201  1.0
  Al  Al36  1  0.41607521  0.68183764  0.95104469  1.0
  Al  Al37  1  0.95104227  0.95104256  0.41607858  1.0
  Al  Al38  1  0.95104261  0.68183761  0.95104471  1.0
  Al  Al39  1  0.41607453  0.95104536  0.68183807  1.0
  Al  Al40  1  0.68183745  0.95104262  0.41607860  1.0
  Al  Al41  1  0.95104276  0.41607836  0.95104193  1.0
  V  V42  1  0.62499061  0.12500393  0.12500295  1.0
  V  V43  1  0.12500227  0.62499341  0.12500256  1.0
  V  V44  1  0.12500197  0.12500350  0.62499247  1.0
  V  V45  1  0.12500267  0.12500393  0.12500297  1.0