# generated using pymatgen
data_Nd3Al12(NiRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83493478
_cell_length_b   8.79803150
_cell_length_c   9.49770071
_cell_angle_alpha   89.89278866
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.13885735
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Al12(NiRu)2
_chemical_formula_sum   'Nd6 Al24 Ni4 Ru4'
_cell_volume   638.45101334
_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  0.19137305  0.38274610  0.24810434  1.0
  Nd  Nd1  1  0.80862695  0.61725390  0.75189566  1.0
  Nd  Nd2  1  0.61755558  0.80768009  0.24911382  1.0
  Nd  Nd3  1  0.38244442  0.19231991  0.75088618  1.0
  Nd  Nd4  1  0.19012552  0.80768009  0.24911382  1.0
  Nd  Nd5  1  0.80987448  0.19231991  0.75088618  1.0
  Al  Al6  1  0.33365199  0.66730398  0.01456151  1.0
  Al  Al7  1  0.66634801  0.33269602  0.98543849  1.0
  Al  Al8  1  0.66612244  0.33224189  0.51581501  1.0
  Al  Al9  1  0.33387756  0.66775811  0.48418499  1.0
  Al  Al10  1  0.16451989  0.32903977  0.57411240  1.0
  Al  Al11  1  0.83548011  0.67096023  0.42588760  1.0
  Al  Al12  1  0.67224501  0.83482853  0.57376112  1.0
  Al  Al13  1  0.83590349  0.67180698  0.07677531  1.0
  Al  Al14  1  0.32775499  0.16517147  0.42623888  1.0
  Al  Al15  1  0.16409651  0.32819302  0.92322469  1.0
  Al  Al16  1  0.16258452  0.83482853  0.57376112  1.0
  Al  Al17  1  0.32747950  0.16284754  0.07580951  1.0
  Al  Al18  1  0.83741548  0.16517147  0.42623888  1.0
  Al  Al19  1  0.67252050  0.83715246  0.92419049  1.0
  Al  Al20  1  0.83536804  0.16284754  0.07580951  1.0
  Al  Al21  1  0.16463196  0.83715246  0.92419049  1.0
  Al  Al22  1  0.56158425  0.12316951  0.24894662  1.0
  Al  Al23  1  0.43841575  0.87683049  0.75105338  1.0
  Al  Al24  1  0.87411176  0.43664052  0.24841045  1.0
  Al  Al25  1  0.12588824  0.56335948  0.75158955  1.0
  Al  Al26  1  0.56252876  0.43664052  0.24841045  1.0
  Al  Al27  1  0.43747124  0.56335948  0.75158955  1.0
  Al  Al28  1  0.99867978  0.99735956  0.25052624  1.0
  Al  Al29  1  0.00132022  0.00264044  0.74947376  1.0
  Ni  Ni30  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni31  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni32  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni33  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru34  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  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