# generated using pymatgen
data_Nd9Th(Al2Ru3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55172741
_cell_length_b   8.51063191
_cell_length_c   8.51063134
_cell_angle_alpha   109.03864084
_cell_angle_beta   109.80303087
_cell_angle_gamma   109.37616394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd9Th(Al2Ru3)2
_chemical_formula_sum   'Nd9 Th1 Al4 Ru6'
_cell_volume   477.95403308
_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  0.75000000  0.81369916  0.06369916  1.0
  Nd  Nd1  1  0.43636342  0.25173440  0.68652929  1.0
  Nd  Nd2  1  0.68406965  0.43663271  0.24923396  1.0
  Nd  Nd3  1  0.06363758  0.75016686  0.81537198  1.0
  Nd  Nd4  1  0.81593035  0.06516432  0.75256106  1.0
  Nd  Nd5  1  0.21724656  0.21441252  0.21663924  1.0
  Nd  Nd6  1  0.50442995  0.00053643  0.28753409  1.0
  Nd  Nd7  1  0.28275344  0.49939568  0.99716595  1.0
  Nd  Nd8  1  0.99557105  0.28310514  0.49610848  1.0
  Th  Th9  1  0.25000000  0.69035095  0.44035195  1.0
  Al  Al10  1  0.50193157  0.00492047  0.91296408  1.0
  Al  Al11  1  0.59235454  0.59138252  0.58905254  1.0
  Al  Al12  1  0.90764546  0.49669899  0.99902798  1.0
  Al  Al13  1  0.99806943  0.91103452  0.50299090  1.0
  Ru  Ru14  1  0.25000100  0.11997454  0.86997454  1.0
  Ru  Ru15  1  0.75000000  0.38227552  0.63227552  1.0
  Ru  Ru16  1  0.87233131  0.24998555  0.12191084  1.0
  Ru  Ru17  1  0.12630713  0.85388277  0.26138454  1.0
  Ru  Ru18  1  0.62766769  0.74957854  0.37765125  1.0
  Ru  Ru19  1  0.37369187  0.63507641  0.72757564  1.0