# generated using pymatgen
data_CeTh(MnAl5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82127875
_cell_length_b   6.82259207
_cell_length_c   9.07581223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.61632513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh(MnAl5)4
_chemical_formula_sum   'Ce1 Th1 Mn4 Al20'
_cell_volume   418.65113980
_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
  Ce  Ce0  1  0.87692222  0.12419532  0.75000000  1.0
  Th  Th1  1  0.12327313  0.87625765  0.25000000  1.0
  Mn  Mn2  1  0.00012584  0.50155260  0.49874630  1.0
  Mn  Mn3  1  0.00012584  0.50155260  0.00125370  1.0
  Mn  Mn4  1  0.49817087  0.99950623  0.00112201  1.0
  Mn  Mn5  1  0.49817087  0.99950623  0.49887799  1.0
  Al  Al6  1  0.52100985  0.77827975  0.75000000  1.0
  Al  Al7  1  0.48034949  0.22258902  0.25000000  1.0
  Al  Al8  1  0.59414746  0.86793781  0.25000000  1.0
  Al  Al9  1  0.76951909  0.76987145  0.99944071  1.0
  Al  Al10  1  0.16033126  0.83921864  0.60034522  1.0
  Al  Al11  1  0.22970308  0.23070344  0.99901700  1.0
  Al  Al12  1  0.13201030  0.40598981  0.25000000  1.0
  Al  Al13  1  0.62497438  0.37524776  0.95056298  1.0
  Al  Al14  1  0.83903846  0.16114381  0.09902691  1.0
  Al  Al15  1  0.37612749  0.62366784  0.45407317  1.0
  Al  Al16  1  0.16033126  0.83921864  0.89965478  1.0
  Al  Al17  1  0.22143120  0.47883284  0.75000000  1.0
  Al  Al18  1  0.37612749  0.62366784  0.04592683  1.0
  Al  Al19  1  0.83903846  0.16114381  0.40097309  1.0
  Al  Al20  1  0.62497438  0.37524776  0.54943702  1.0
  Al  Al21  1  0.40882126  0.13228275  0.75000000  1.0
  Al  Al22  1  0.77774815  0.51988257  0.25000000  1.0
  Al  Al23  1  0.76951909  0.76987145  0.50055929  1.0
  Al  Al24  1  0.22970308  0.23070344  0.50098300  1.0
  Al  Al25  1  0.86830701  0.59192595  0.75000000  1.0