# generated using pymatgen
data_Nd3Al12NiRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82843396
_cell_length_b   8.82843483
_cell_length_c   9.55710267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.64355871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Al12NiRu3
_chemical_formula_sum   'Nd6 Al24 Ni2 Ru6'
_cell_volume   647.40040221
_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  0.18907312  0.38268844  0.25000000  1.0
  Nd  Nd1  1  0.81092688  0.61731156  0.75000000  1.0
  Nd  Nd2  1  0.61731156  0.81092688  0.25000000  1.0
  Nd  Nd3  1  0.38268844  0.18907312  0.75000000  1.0
  Nd  Nd4  1  0.19348628  0.80651372  0.25000000  1.0
  Nd  Nd5  1  0.80651372  0.19348628  0.75000000  1.0
  Al  Al6  1  0.33425179  0.66574821  0.00566733  1.0
  Al  Al7  1  0.66574821  0.33425179  0.99433267  1.0
  Al  Al8  1  0.66574821  0.33425179  0.50566733  1.0
  Al  Al9  1  0.33425179  0.66574821  0.49433267  1.0
  Al  Al10  1  0.16257456  0.32600639  0.57529371  1.0
  Al  Al11  1  0.83742544  0.67399361  0.42470629  1.0
  Al  Al12  1  0.67399361  0.83742544  0.57529371  1.0
  Al  Al13  1  0.83742544  0.67399361  0.07529371  1.0
  Al  Al14  1  0.32600639  0.16257456  0.42470629  1.0
  Al  Al15  1  0.16257456  0.32600639  0.92470629  1.0
  Al  Al16  1  0.16359514  0.83640486  0.57635033  1.0
  Al  Al17  1  0.32600639  0.16257456  0.07529371  1.0
  Al  Al18  1  0.83640486  0.16359514  0.42364967  1.0
  Al  Al19  1  0.67399361  0.83742544  0.92470629  1.0
  Al  Al20  1  0.83640486  0.16359514  0.07635033  1.0
  Al  Al21  1  0.16359514  0.83640486  0.92364967  1.0
  Al  Al22  1  0.56212856  0.12584471  0.25000000  1.0
  Al  Al23  1  0.43787144  0.87415529  0.75000000  1.0
  Al  Al24  1  0.87415529  0.43787144  0.25000000  1.0
  Al  Al25  1  0.12584471  0.56212856  0.75000000  1.0
  Al  Al26  1  0.56013974  0.43986026  0.25000000  1.0
  Al  Al27  1  0.43986026  0.56013974  0.75000000  1.0
  Al  Al28  1  0.99914815  0.00085185  0.25000000  1.0
  Al  Al29  1  0.00085185  0.99914815  0.75000000  1.0
  Ni  Ni30  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni31  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru32  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru33  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru34  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.50000000  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