# generated using pymatgen
data_Nd3Al12(PdRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87557857
_cell_length_b   8.93209951
_cell_length_c   9.58068031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.79090367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Al12(PdRu)2
_chemical_formula_sum   'Nd6 Al24 Pd4 Ru4'
_cell_volume   659.15630596
_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
  Nd  Nd0  1  0.18974358  0.37948615  0.25000000  1.0
  Nd  Nd1  1  0.81025642  0.62051385  0.75000000  1.0
  Nd  Nd2  1  0.61817019  0.81158971  0.25000000  1.0
  Nd  Nd3  1  0.38182981  0.18841029  0.75000000  1.0
  Nd  Nd4  1  0.19342152  0.81158971  0.25000000  1.0
  Nd  Nd5  1  0.80657848  0.18841029  0.75000000  1.0
  Al  Al6  1  0.33617319  0.67234838  0.01838353  1.0
  Al  Al7  1  0.66382681  0.32765162  0.98161647  1.0
  Al  Al8  1  0.66382681  0.32765162  0.51838353  1.0
  Al  Al9  1  0.33617319  0.67234838  0.48161647  1.0
  Al  Al10  1  0.16148231  0.32296461  0.57662095  1.0
  Al  Al11  1  0.83851769  0.67703539  0.42337905  1.0
  Al  Al12  1  0.67392584  0.84226046  0.57672156  1.0
  Al  Al13  1  0.83851769  0.67703539  0.07662095  1.0
  Al  Al14  1  0.32607416  0.15773954  0.42327844  1.0
  Al  Al15  1  0.16148231  0.32296461  0.92337905  1.0
  Al  Al16  1  0.16833462  0.84226046  0.57672156  1.0
  Al  Al17  1  0.32607416  0.15773954  0.07672156  1.0
  Al  Al18  1  0.83166538  0.15773954  0.42327844  1.0
  Al  Al19  1  0.67392584  0.84226046  0.92327844  1.0
  Al  Al20  1  0.83166538  0.15773954  0.07672156  1.0
  Al  Al21  1  0.16833462  0.84226046  0.92327844  1.0
  Al  Al22  1  0.56260949  0.12521898  0.25000000  1.0
  Al  Al23  1  0.43739051  0.87478102  0.75000000  1.0
  Al  Al24  1  0.87138455  0.43560491  0.25000000  1.0
  Al  Al25  1  0.12861545  0.56439509  0.75000000  1.0
  Al  Al26  1  0.56421936  0.43560491  0.25000000  1.0
  Al  Al27  1  0.43578064  0.56439509  0.75000000  1.0
  Al  Al28  1  0.00186492  0.00372884  0.25000000  1.0
  Al  Al29  1  0.99813508  0.99627116  0.75000000  1.0
  Pd  Pd30  1  0.00000000  0.50000000  0.00000000  1.0
  Pd  Pd31  1  0.50000000  0.50000000  0.00000000  1.0
  Pd  Pd32  1  0.00000000  0.50000000  0.50000000  1.0
  Pd  Pd33  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru34  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru35  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.50000000  1.0