# generated using pymatgen
data_NdTh(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84568735
_cell_length_b   6.84566088
_cell_length_c   9.12739913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.14878797
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh(Al5Ru)4
_chemical_formula_sum   'Nd1 Th1 Al20 Ru4'
_cell_volume   424.41451808
_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  0.12474263  0.87527324  0.25000000  1.0
  Th  Th1  1  0.87430944  0.12568528  0.75000000  1.0
  Al  Al2  1  0.62128101  0.37871331  0.55343701  1.0
  Al  Al3  1  0.37738956  0.62260903  0.45104884  1.0
  Al  Al4  1  0.37738956  0.62260903  0.04895116  1.0
  Al  Al5  1  0.62128101  0.37871331  0.94656299  1.0
  Al  Al6  1  0.22946360  0.22744418  0.49900021  1.0
  Al  Al7  1  0.77256959  0.77054674  0.49900969  1.0
  Al  Al8  1  0.77256959  0.77054674  0.00099031  1.0
  Al  Al9  1  0.22946360  0.22744418  0.00099979  1.0
  Al  Al10  1  0.83841037  0.16158185  0.10217309  1.0
  Al  Al11  1  0.15970795  0.84028734  0.89921796  1.0
  Al  Al12  1  0.15970795  0.84028734  0.60078204  1.0
  Al  Al13  1  0.83841037  0.16158185  0.39782691  1.0
  Al  Al14  1  0.86213697  0.59544998  0.75000000  1.0
  Al  Al15  1  0.13929114  0.40839749  0.25000000  1.0
  Al  Al16  1  0.40453233  0.13786737  0.75000000  1.0
  Al  Al17  1  0.59162691  0.86068009  0.25000000  1.0
  Al  Al18  1  0.22134090  0.48317690  0.75000000  1.0
  Al  Al19  1  0.77988733  0.51756908  0.25000000  1.0
  Al  Al20  1  0.51681675  0.77865689  0.75000000  1.0
  Al  Al21  1  0.48244440  0.22012244  0.25000000  1.0
  Ru  Ru22  1  0.00002591  0.49740475  0.50151427  1.0
  Ru  Ru23  1  0.00002591  0.49740475  0.99848573  1.0
  Ru  Ru24  1  0.50258911  0.99997192  0.99848142  1.0
  Ru  Ru25  1  0.50258911  0.99997192  0.50151858  1.0