# generated using pymatgen
data_Th2Al3Si2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18749349
_cell_length_b   8.18749230
_cell_length_c   8.18749225
_cell_angle_alpha   138.51411779
_cell_angle_beta   103.56583185
_cell_angle_gamma   90.93502837
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al3Si2Ni3
_chemical_formula_sum   'Th4 Al6 Si4 Ni6'
_cell_volume   337.35239474
_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  0.37593286  0.62819510  0.74773775  1.0
  Th  Th1  1  0.62406714  0.37180490  0.25226225  1.0
  Th  Th2  1  0.11954165  0.87180490  0.24773775  1.0
  Th  Th3  1  0.88045835  0.12819510  0.75226225  1.0
  Al  Al4  1  0.00000000  0.75000000  0.75000000  1.0
  Al  Al5  1  0.00000000  0.25000000  0.25000000  1.0
  Al  Al6  1  0.75068086  0.50068086  0.75000000  1.0
  Al  Al7  1  0.24931914  0.99931914  0.75000000  1.0
  Al  Al8  1  0.24931914  0.49931914  0.25000000  1.0
  Al  Al9  1  0.75068086  0.00068086  0.25000000  1.0
  Si  Si10  1  0.25149271  0.38832405  0.86316866  1.0
  Si  Si11  1  0.74850729  0.61167595  0.13683134  1.0
  Si  Si12  1  0.52515438  0.88832405  0.63683134  1.0
  Si  Si13  1  0.47484562  0.11167595  0.36316866  1.0
  Ni  Ni14  1  0.99372374  0.62907862  0.36464512  1.0
  Ni  Ni15  1  0.26443350  0.12907862  0.13535488  1.0
  Ni  Ni16  1  0.50000000  0.75000000  0.25000000  1.0
  Ni  Ni17  1  0.50000000  0.25000000  0.75000000  1.0
  Ni  Ni18  1  0.00627626  0.37092138  0.63535488  1.0
  Ni  Ni19  1  0.73556650  0.87092138  0.86464512  1.0