# generated using pymatgen
data_Pa3(Al3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82614646
_cell_length_b   8.82614575
_cell_length_c   9.37016995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa3(Al3Ru)4
_chemical_formula_sum   'Pa6 Al24 Ru8'
_cell_volume   632.15022463
_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
  Pa  Pa0  1  0.80078145  0.19921855  0.75000000  1.0
  Pa  Pa1  1  0.19921855  0.80078145  0.25000000  1.0
  Pa  Pa2  1  0.39843710  0.19921855  0.75000000  1.0
  Pa  Pa3  1  0.60156290  0.80078145  0.25000000  1.0
  Pa  Pa4  1  0.80078145  0.60156290  0.75000000  1.0
  Pa  Pa5  1  0.19921855  0.39843710  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.98753065  1.0
  Al  Al7  1  0.33333300  0.66666700  0.01246935  1.0
  Al  Al8  1  0.33333300  0.66666700  0.48753065  1.0
  Al  Al9  1  0.66666700  0.33333300  0.51246935  1.0
  Al  Al10  1  0.83832305  0.16167695  0.41990126  1.0
  Al  Al11  1  0.16167695  0.83832305  0.58009874  1.0
  Al  Al12  1  0.32335389  0.16167695  0.41990126  1.0
  Al  Al13  1  0.16167695  0.83832305  0.91990126  1.0
  Al  Al14  1  0.67664611  0.83832305  0.58009874  1.0
  Al  Al15  1  0.83832305  0.16167695  0.08009874  1.0
  Al  Al16  1  0.83832305  0.67664611  0.41990126  1.0
  Al  Al17  1  0.67664611  0.83832305  0.91990126  1.0
  Al  Al18  1  0.16167695  0.32335389  0.58009874  1.0
  Al  Al19  1  0.32335389  0.16167695  0.08009874  1.0
  Al  Al20  1  0.16167695  0.32335389  0.91990126  1.0
  Al  Al21  1  0.83832305  0.67664611  0.08009874  1.0
  Al  Al22  1  0.43752016  0.56247984  0.75000000  1.0
  Al  Al23  1  0.56247984  0.43752016  0.25000000  1.0
  Al  Al24  1  0.12495769  0.56247984  0.75000000  1.0
  Al  Al25  1  0.87504231  0.43752016  0.25000000  1.0
  Al  Al26  1  0.43752016  0.87504231  0.75000000  1.0
  Al  Al27  1  0.56247984  0.12495769  0.25000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.25000000  1.0
  Ru  Ru30  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru32  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.00000000  0.00000000  1.0
  Ru  Ru34  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.00000000  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