# generated using pymatgen
data_CaPr(Al5Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74085457
_cell_length_b   6.74085422
_cell_length_c   8.94933673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.35684618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPr(Al5Fe)4
_chemical_formula_sum   'Ca1 Pr1 Al20 Fe4'
_cell_volume   403.30237911
_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  0.87722795  0.12277205  0.75000000  1.0
  Pr  Pr1  1  0.12134437  0.87865563  0.25000000  1.0
  Al  Al2  1  0.62465315  0.37534685  0.54665891  1.0
  Al  Al3  1  0.37590541  0.62409459  0.44874824  1.0
  Al  Al4  1  0.37590541  0.62409459  0.05125176  1.0
  Al  Al5  1  0.62465315  0.37534685  0.95334109  1.0
  Al  Al6  1  0.22811753  0.22949965  0.50153462  1.0
  Al  Al7  1  0.77050035  0.77188247  0.50153462  1.0
  Al  Al8  1  0.77050035  0.77188247  0.99846538  1.0
  Al  Al9  1  0.22811753  0.22949965  0.99846538  1.0
  Al  Al10  1  0.83919332  0.16080668  0.09585896  1.0
  Al  Al11  1  0.16258296  0.83741704  0.90100381  1.0
  Al  Al12  1  0.16258296  0.83741704  0.59899619  1.0
  Al  Al13  1  0.83919332  0.16080668  0.40414104  1.0
  Al  Al14  1  0.86811507  0.58766018  0.75000000  1.0
  Al  Al15  1  0.13017880  0.40929333  0.25000000  1.0
  Al  Al16  1  0.41233982  0.13188493  0.75000000  1.0
  Al  Al17  1  0.59070667  0.86982120  0.25000000  1.0
  Al  Al18  1  0.21925671  0.47626570  0.75000000  1.0
  Al  Al19  1  0.77826343  0.52053428  0.25000000  1.0
  Al  Al20  1  0.52373430  0.78074329  0.75000000  1.0
  Al  Al21  1  0.47946572  0.22173657  0.25000000  1.0
  Fe  Fe22  1  0.99935017  0.50061831  0.50079675  1.0
  Fe  Fe23  1  0.99935017  0.50061831  0.99920325  1.0
  Fe  Fe24  1  0.49938169  0.00064983  0.99920325  1.0
  Fe  Fe25  1  0.49938169  0.00064983  0.50079675  1.0