# generated using pymatgen
data_Pr3Sc2(Al5Ru2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04104256
_cell_length_b   9.04104142
_cell_length_c   9.72997433
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Sc2(Al5Ru2)2
_chemical_formula_sum   'Pr6 Sc4 Al20 Ru8'
_cell_volume   688.77807165
_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
  Pr  Pr0  1  0.18558803  0.37117406  0.25000000  1.0
  Pr  Pr1  1  0.81441197  0.62882594  0.75000000  1.0
  Pr  Pr2  1  0.62882594  0.81441197  0.25000000  1.0
  Pr  Pr3  1  0.37117406  0.18558803  0.75000000  1.0
  Pr  Pr4  1  0.18558803  0.81441197  0.25000000  1.0
  Pr  Pr5  1  0.81441197  0.18558803  0.75000000  1.0
  Sc  Sc6  1  0.33333300  0.66666700  0.00446005  1.0
  Sc  Sc7  1  0.66666700  0.33333300  0.99553995  1.0
  Sc  Sc8  1  0.66666700  0.33333300  0.50446005  1.0
  Sc  Sc9  1  0.33333300  0.66666700  0.49553995  1.0
  Al  Al10  1  0.15803962  0.31607824  0.57480551  1.0
  Al  Al11  1  0.84196038  0.68392176  0.42519449  1.0
  Al  Al12  1  0.68392176  0.84196038  0.57480551  1.0
  Al  Al13  1  0.84196038  0.68392176  0.07480551  1.0
  Al  Al14  1  0.31607824  0.15803962  0.42519449  1.0
  Al  Al15  1  0.15803962  0.31607824  0.92519449  1.0
  Al  Al16  1  0.15803962  0.84196038  0.57480551  1.0
  Al  Al17  1  0.31607824  0.15803962  0.07480551  1.0
  Al  Al18  1  0.84196038  0.15803962  0.42519449  1.0
  Al  Al19  1  0.68392176  0.84196038  0.92519449  1.0
  Al  Al20  1  0.84196038  0.15803962  0.07480551  1.0
  Al  Al21  1  0.15803962  0.84196038  0.92519449  1.0
  Al  Al22  1  0.56102177  0.12204254  0.25000000  1.0
  Al  Al23  1  0.43897823  0.87795746  0.75000000  1.0
  Al  Al24  1  0.87795746  0.43897823  0.25000000  1.0
  Al  Al25  1  0.12204254  0.56102177  0.75000000  1.0
  Al  Al26  1  0.56102177  0.43897823  0.25000000  1.0
  Al  Al27  1  0.43897823  0.56102177  0.75000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.75000000  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru32  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru33  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