# generated using pymatgen
data_SmTh(Al5Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74216324
_cell_length_b   6.74216386
_cell_length_c   8.93625949
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.52597590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh(Al5Fe)4
_chemical_formula_sum   'Sm1 Th1 Al20 Fe4'
_cell_volume   402.71419412
_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
  Sm  Sm0  1  0.87617628  0.12382372  0.75000000  1.0
  Th  Th1  1  0.12450360  0.87549640  0.25000000  1.0
  Al  Al2  1  0.52061923  0.77958012  0.75000000  1.0
  Al  Al3  1  0.48099480  0.22168531  0.25000000  1.0
  Al  Al4  1  0.59258611  0.86806395  0.25000000  1.0
  Al  Al5  1  0.77004192  0.77159340  0.99851563  1.0
  Al  Al6  1  0.16239062  0.83760938  0.59967250  1.0
  Al  Al7  1  0.22840660  0.22995808  0.99851563  1.0
  Al  Al8  1  0.13193605  0.40741389  0.25000000  1.0
  Al  Al9  1  0.62417135  0.37582865  0.94942899  1.0
  Al  Al10  1  0.83802564  0.16197436  0.09727577  1.0
  Al  Al11  1  0.37703873  0.62296127  0.44838817  1.0
  Al  Al12  1  0.16239062  0.83760938  0.90032750  1.0
  Al  Al13  1  0.22041988  0.47938077  0.75000000  1.0
  Al  Al14  1  0.37703873  0.62296127  0.05161183  1.0
  Al  Al15  1  0.83802564  0.16197436  0.40272423  1.0
  Al  Al16  1  0.62417135  0.37582865  0.55057101  1.0
  Al  Al17  1  0.41185382  0.13225113  0.75000000  1.0
  Al  Al18  1  0.77831469  0.51900520  0.25000000  1.0
  Al  Al19  1  0.77004192  0.77159340  0.50148437  1.0
  Al  Al20  1  0.22840660  0.22995808  0.50148437  1.0
  Al  Al21  1  0.86774887  0.58814618  0.75000000  1.0
  Fe  Fe22  1  0.00018963  0.50284015  0.49887576  1.0
  Fe  Fe23  1  0.00018963  0.50284015  0.00112424  1.0
  Fe  Fe24  1  0.49715985  0.99981037  0.00112424  1.0
  Fe  Fe25  1  0.49715985  0.99981037  0.49887576  1.0