# generated using pymatgen
data_Lu3Al12Ru3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.73427387
_cell_length_b   8.76772026
_cell_length_c   9.43085133
_cell_angle_alpha   89.88016276
_cell_angle_beta   90.00000002
_cell_angle_gamma   119.87390122
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Al12Ru3Au
_chemical_formula_sum   'Lu6 Al24 Ru6 Au2'
_cell_volume   626.24488864
_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
  Lu  Lu0  1  0.19390073  0.38780146  0.25087433  1.0
  Lu  Lu1  1  0.80609927  0.61219854  0.74912567  1.0
  Lu  Lu2  1  0.61050034  0.80731869  0.25498670  1.0
  Lu  Lu3  1  0.38949966  0.19268131  0.74501330  1.0
  Lu  Lu4  1  0.19681735  0.80731869  0.25498670  1.0
  Lu  Lu5  1  0.80318265  0.19268131  0.74501330  1.0
  Al  Al6  1  0.33887994  0.67775987  0.02956089  1.0
  Al  Al7  1  0.66112006  0.32224013  0.97043911  1.0
  Al  Al8  1  0.66673991  0.33347883  0.52291013  1.0
  Al  Al9  1  0.33326009  0.66652117  0.47708987  1.0
  Al  Al10  1  0.16265118  0.32530037  0.57490172  1.0
  Al  Al11  1  0.83734882  0.67469963  0.42509828  1.0
  Al  Al12  1  0.67349850  0.83641270  0.57712897  1.0
  Al  Al13  1  0.84077720  0.68155439  0.08535237  1.0
  Al  Al14  1  0.32650150  0.16358730  0.42287103  1.0
  Al  Al15  1  0.15922280  0.31844561  0.91464763  1.0
  Al  Al16  1  0.16291420  0.83641270  0.57712897  1.0
  Al  Al17  1  0.32287276  0.15224867  0.08182911  1.0
  Al  Al18  1  0.83708580  0.16358730  0.42287103  1.0
  Al  Al19  1  0.67712724  0.84775133  0.91817089  1.0
  Al  Al20  1  0.82937491  0.15224867  0.08182911  1.0
  Al  Al21  1  0.17062509  0.84775133  0.91817089  1.0
  Al  Al22  1  0.56051691  0.12103383  0.24949975  1.0
  Al  Al23  1  0.43948309  0.87896617  0.75050025  1.0
  Al  Al24  1  0.87300623  0.43605062  0.25635953  1.0
  Al  Al25  1  0.12699377  0.56394938  0.74364047  1.0
  Al  Al26  1  0.56304339  0.43605062  0.25635953  1.0
  Al  Al27  1  0.43695661  0.56394938  0.74364047  1.0
  Al  Al28  1  0.00140010  0.00279920  0.25089864  1.0
  Al  Al29  1  0.99859990  0.99720080  0.74910136  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru31  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru32  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru34  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au36  1  0.00000000  0.50000000  0.00000000  1.0
  Au  Au37  1  0.50000000  0.50000000  0.00000000  1.0