# generated using pymatgen
data_Nd3Th3(Al3Ru)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88953407
_cell_length_b   8.88953473
_cell_length_c   9.59457988
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th3(Al3Ru)8
_chemical_formula_sum   'Nd3 Th3 Al24 Ru8'
_cell_volume   656.62077498
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.61616017  0.80808009  0.75000000  1.0
  Nd  Nd1  1  0.19191991  0.80808009  0.75000000  1.0
  Nd  Nd2  1  0.19191991  0.38383983  0.75000000  1.0
  Th  Th3  1  0.39095099  0.19547499  0.25000000  1.0
  Th  Th4  1  0.80452501  0.19547499  0.25000000  1.0
  Th  Th5  1  0.80452501  0.60904901  0.25000000  1.0
  Al  Al6  1  0.43557812  0.87115624  0.25000000  1.0
  Al  Al7  1  0.12884376  0.56442188  0.25000000  1.0
  Al  Al8  1  0.43557812  0.56442188  0.25000000  1.0
  Al  Al9  1  0.56177697  0.12355495  0.75000000  1.0
  Al  Al10  1  0.87644505  0.43822303  0.75000000  1.0
  Al  Al11  1  0.56177697  0.43822303  0.75000000  1.0
  Al  Al12  1  0.16284911  0.83715089  0.42450588  1.0
  Al  Al13  1  0.16284911  0.32569923  0.42450588  1.0
  Al  Al14  1  0.67430077  0.83715089  0.42450588  1.0
  Al  Al15  1  0.83755359  0.16244641  0.57748672  1.0
  Al  Al16  1  0.83755359  0.67510618  0.57748672  1.0
  Al  Al17  1  0.32489382  0.16244641  0.57748672  1.0
  Al  Al18  1  0.83755359  0.16244641  0.92251328  1.0
  Al  Al19  1  0.83755359  0.67510618  0.92251328  1.0
  Al  Al20  1  0.32489382  0.16244641  0.92251328  1.0
  Al  Al21  1  0.16284911  0.83715089  0.07549412  1.0
  Al  Al22  1  0.16284911  0.32569923  0.07549412  1.0
  Al  Al23  1  0.67430077  0.83715089  0.07549412  1.0
  Al  Al24  1  0.33333300  0.66666700  0.50648011  1.0
  Al  Al25  1  0.66666700  0.33333300  0.49541162  1.0
  Al  Al26  1  0.66666700  0.33333300  0.00458838  1.0
  Al  Al27  1  0.33333300  0.66666700  0.99351989  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru30  1  0.00000000  0.00000000  0.50061989  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.99938011  1.0
  Ru  Ru32  1  0.50060251  0.00120502  0.49643358  1.0
  Ru  Ru33  1  0.99879498  0.49939749  0.49643358  1.0
  Ru  Ru34  1  0.50060251  0.49939749  0.49643358  1.0
  Ru  Ru35  1  0.50060251  0.00120502  0.00356642  1.0
  Ru  Ru36  1  0.99879498  0.49939749  0.00356642  1.0
  Ru  Ru37  1  0.50060251  0.49939749  0.00356642  1.0