# generated using pymatgen
data_CaPr(Al5Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84233782
_cell_length_b   6.84233801
_cell_length_c   9.12516844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.00462160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr(Al5Ru)4
_chemical_formula_sum   'Ca1 Pr1 Al20 Ru4'
_cell_volume   424.02975571
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.87465052  0.12534948  0.75000000  1.0
  Pr  Pr1  1  0.12283220  0.87716780  0.25000000  1.0
  Al  Al2  1  0.40947072  0.13951809  0.75000000  1.0
  Al  Al3  1  0.13655590  0.40673827  0.25000000  1.0
  Al  Al4  1  0.59326173  0.86344410  0.25000000  1.0
  Al  Al5  1  0.86048191  0.59052928  0.75000000  1.0
  Al  Al6  1  0.52202706  0.78186897  0.75000000  1.0
  Al  Al7  1  0.77892996  0.51840187  0.25000000  1.0
  Al  Al8  1  0.48159813  0.22107004  0.25000000  1.0
  Al  Al9  1  0.21813103  0.47797294  0.75000000  1.0
  Al  Al10  1  0.84194629  0.15805371  0.40113299  1.0
  Al  Al11  1  0.16100952  0.83899048  0.60174636  1.0
  Al  Al12  1  0.84194629  0.15805371  0.09886701  1.0
  Al  Al13  1  0.16100952  0.83899048  0.89825364  1.0
  Al  Al14  1  0.62305738  0.37694262  0.54354028  1.0
  Al  Al15  1  0.37746267  0.62253733  0.44912567  1.0
  Al  Al16  1  0.62305738  0.37694262  0.95645972  1.0
  Al  Al17  1  0.37746267  0.62253733  0.05087433  1.0
  Al  Al18  1  0.77187741  0.77335052  0.99840750  1.0
  Al  Al19  1  0.77187741  0.77335052  0.50159250  1.0
  Al  Al20  1  0.22664948  0.22812259  0.99840750  1.0
  Al  Al21  1  0.22664948  0.22812259  0.50159250  1.0
  Ru  Ru22  1  0.49942817  0.00040001  0.99916347  1.0
  Ru  Ru23  1  0.99959999  0.50057183  0.99916347  1.0
  Ru  Ru24  1  0.49942817  0.00040001  0.50083653  1.0
  Ru  Ru25  1  0.99959999  0.50057183  0.50083653  1.0