# generated using pymatgen
data_Zr3Al3CuRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40071369
_cell_length_b   6.33248867
_cell_length_c   13.18293267
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99809709
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3CuRu5
_chemical_formula_sum   'Zr6 Al6 Cu2 Ru10'
_cell_volume   367.37497535
_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
  Zr  Zr0  1  0.00005086  0.00000000  0.00201918  1.0
  Zr  Zr1  1  0.50007834  0.50000000  0.16670895  1.0
  Zr  Zr2  1  0.00007383  0.00000000  0.33334042  1.0
  Zr  Zr3  1  0.49998354  0.50000000  0.49996999  1.0
  Zr  Zr4  1  0.99990072  0.00000000  0.66463996  1.0
  Zr  Zr5  1  0.49991315  0.50000000  0.83332161  1.0
  Al  Al6  1  0.00005205  0.50000000  0.00257045  1.0
  Al  Al7  1  0.50006547  0.00000000  0.16701819  1.0
  Al  Al8  1  0.00009443  0.50000000  0.33333429  1.0
  Al  Al9  1  0.49998262  0.00000000  0.49964894  1.0
  Al  Al10  1  0.99991267  0.50000000  0.66410165  1.0
  Al  Al11  1  0.49988573  0.00000000  0.83333299  1.0
  Cu  Cu12  1  0.99990690  0.25303510  0.83332245  1.0
  Cu  Cu13  1  0.99990690  0.74696390  0.83332245  1.0
  Ru  Ru14  1  0.50005368  0.25004519  0.99464098  1.0
  Ru  Ru15  1  0.50005368  0.74995581  0.99464098  1.0
  Ru  Ru16  1  0.00008145  0.24983195  0.16378383  1.0
  Ru  Ru17  1  0.00008145  0.75016705  0.16378383  1.0
  Ru  Ru18  1  0.50008420  0.24983887  0.33334082  1.0
  Ru  Ru19  1  0.50008420  0.75016113  0.33334082  1.0
  Ru  Ru20  1  0.99998620  0.24982833  0.50288589  1.0
  Ru  Ru21  1  0.99998620  0.75017167  0.50288589  1.0
  Ru  Ru22  1  0.49989437  0.25005356  0.67202372  1.0
  Ru  Ru23  1  0.49989437  0.74994644  0.67202372  1.0