# generated using pymatgen
data_Th3(Al3Tc)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95482850
_cell_length_b   8.95482675
_cell_length_c   9.68731772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3(Al3Tc)4
_chemical_formula_sum   'Th6 Al24 Tc8'
_cell_volume   672.74217599
_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  0.80416057  0.60832113  0.75000000  1.0
  Th  Th1  1  0.19583943  0.80416057  0.25000000  1.0
  Th  Th2  1  0.60832113  0.80416057  0.25000000  1.0
  Th  Th3  1  0.39167887  0.19583943  0.75000000  1.0
  Th  Th4  1  0.80416057  0.19583943  0.75000000  1.0
  Th  Th5  1  0.19583943  0.39167887  0.25000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.50222080  1.0
  Al  Al7  1  0.66666700  0.33333300  0.00222080  1.0
  Al  Al8  1  0.66666700  0.33333300  0.49777920  1.0
  Al  Al9  1  0.33333300  0.66666700  0.99777920  1.0
  Al  Al10  1  0.16211341  0.32422681  0.57738227  1.0
  Al  Al11  1  0.67577319  0.83788659  0.57738227  1.0
  Al  Al12  1  0.16211341  0.83788659  0.57738227  1.0
  Al  Al13  1  0.83788659  0.16211341  0.07738227  1.0
  Al  Al14  1  0.83788659  0.16211341  0.42261773  1.0
  Al  Al15  1  0.83788659  0.67577319  0.07738227  1.0
  Al  Al16  1  0.32422681  0.16211341  0.07738227  1.0
  Al  Al17  1  0.67577319  0.83788659  0.92261773  1.0
  Al  Al18  1  0.16211341  0.32422681  0.92261773  1.0
  Al  Al19  1  0.83788659  0.67577319  0.42261773  1.0
  Al  Al20  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al21  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al22  1  0.56365973  0.12731946  0.25000000  1.0
  Al  Al23  1  0.43634027  0.56365973  0.75000000  1.0
  Al  Al24  1  0.12731946  0.56365973  0.75000000  1.0
  Al  Al25  1  0.87268054  0.43634027  0.25000000  1.0
  Al  Al26  1  0.56365973  0.43634027  0.25000000  1.0
  Al  Al27  1  0.43634027  0.87268054  0.75000000  1.0
  Al  Al28  1  0.16211341  0.83788659  0.92261773  1.0
  Al  Al29  1  0.32422681  0.16211341  0.42261773  1.0
  Tc  Tc30  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc31  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc32  1  0.50000000  0.00000000  0.50000000  1.0
  Tc  Tc33  1  0.50000000  0.50000000  0.00000000  1.0
  Tc  Tc34  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc35  1  0.00000000  0.50000000  0.50000000  1.0
  Tc  Tc36  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc37  1  0.50000000  0.00000000  0.00000000  1.0