# generated using pymatgen
data_Y3Al12CuRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76536651
_cell_length_b   8.76536636
_cell_length_c   9.43964744
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.49348898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al12CuRu3
_chemical_formula_sum   'Y6 Al24 Cu2 Ru6'
_cell_volume   631.27795206
_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
  Y  Y0  1  0.19510922  0.80489078  0.25000000  1.0
  Y  Y1  1  0.18915046  0.38352591  0.25000000  1.0
  Y  Y2  1  0.61647409  0.81084954  0.25000000  1.0
  Y  Y3  1  0.80489078  0.19510922  0.75000000  1.0
  Y  Y4  1  0.81084954  0.61647409  0.75000000  1.0
  Y  Y5  1  0.38352591  0.18915046  0.75000000  1.0
  Al  Al6  1  0.56168520  0.43831480  0.25000000  1.0
  Al  Al7  1  0.56176871  0.12325860  0.25000000  1.0
  Al  Al8  1  0.87674140  0.43823129  0.25000000  1.0
  Al  Al9  1  0.43831480  0.56168520  0.75000000  1.0
  Al  Al10  1  0.43823129  0.87674140  0.75000000  1.0
  Al  Al11  1  0.12325860  0.56176871  0.75000000  1.0
  Al  Al12  1  0.32461610  0.15728461  0.42263676  1.0
  Al  Al13  1  0.83600096  0.16399904  0.42196453  1.0
  Al  Al14  1  0.84271539  0.67538390  0.42263676  1.0
  Al  Al15  1  0.67538390  0.84271539  0.57736324  1.0
  Al  Al16  1  0.16399904  0.83600096  0.57803547  1.0
  Al  Al17  1  0.15728461  0.32461610  0.57736324  1.0
  Al  Al18  1  0.67538390  0.84271539  0.92263676  1.0
  Al  Al19  1  0.16399904  0.83600096  0.92196453  1.0
  Al  Al20  1  0.15728461  0.32461610  0.92263676  1.0
  Al  Al21  1  0.32461610  0.15728461  0.07736324  1.0
  Al  Al22  1  0.83600096  0.16399904  0.07803547  1.0
  Al  Al23  1  0.84271539  0.67538390  0.07736324  1.0
  Al  Al24  1  0.66800048  0.33199952  0.51711495  1.0
  Al  Al25  1  0.33199952  0.66800048  0.48288505  1.0
  Al  Al26  1  0.33199952  0.66800048  0.01711495  1.0
  Al  Al27  1  0.66800048  0.33199952  0.98288505  1.0
  Al  Al28  1  0.99836674  0.00163326  0.25000000  1.0
  Al  Al29  1  0.00163326  0.99836674  0.75000000  1.0
  Cu  Cu30  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu31  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru32  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.00000000  0.00000000  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  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.50000000  0.00000000  1.0