# generated using pymatgen
data_Th3Al12FeRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95380551
_cell_length_b   8.95380560
_cell_length_c   9.59532365
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Al12FeRe3
_chemical_formula_sum   'Th6 Al24 Fe2 Re6'
_cell_volume   666.20140913
_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
  Th  Th0  1  0.80290520  0.19709480  0.75000000  1.0
  Th  Th1  1  0.19709480  0.80290520  0.25000000  1.0
  Th  Th2  1  0.39418960  0.19709480  0.75000000  1.0
  Th  Th3  1  0.60581040  0.80290520  0.25000000  1.0
  Th  Th4  1  0.80290520  0.60581040  0.75000000  1.0
  Th  Th5  1  0.19709480  0.39418960  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.00089593  1.0
  Al  Al7  1  0.33333300  0.66666700  0.99910407  1.0
  Al  Al8  1  0.33333300  0.66666700  0.50089593  1.0
  Al  Al9  1  0.66666700  0.33333300  0.49910407  1.0
  Al  Al10  1  0.83954630  0.16045370  0.42332529  1.0
  Al  Al11  1  0.16045370  0.83954630  0.57667471  1.0
  Al  Al12  1  0.32090839  0.16045370  0.42332529  1.0
  Al  Al13  1  0.16045370  0.83954630  0.92332529  1.0
  Al  Al14  1  0.67909161  0.83954630  0.57667471  1.0
  Al  Al15  1  0.83954630  0.16045370  0.07667471  1.0
  Al  Al16  1  0.83954630  0.67909161  0.42332529  1.0
  Al  Al17  1  0.67909161  0.83954630  0.92332529  1.0
  Al  Al18  1  0.16045370  0.32090839  0.57667471  1.0
  Al  Al19  1  0.32090839  0.16045370  0.07667471  1.0
  Al  Al20  1  0.16045370  0.32090839  0.92332529  1.0
  Al  Al21  1  0.83954630  0.67909161  0.07667471  1.0
  Al  Al22  1  0.43625369  0.56374631  0.75000000  1.0
  Al  Al23  1  0.56374631  0.43625369  0.25000000  1.0
  Al  Al24  1  0.12749261  0.56374631  0.75000000  1.0
  Al  Al25  1  0.87250739  0.43625369  0.25000000  1.0
  Al  Al26  1  0.43625369  0.87250739  0.75000000  1.0
  Al  Al27  1  0.56374631  0.12749261  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
  Fe  Fe30  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe31  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re32  1  0.50000000  0.50000000  0.00000000  1.0
  Re  Re33  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re34  1  0.50000000  0.50000000  0.50000000  1.0
  Re  Re35  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re36  1  0.00000000  0.50000000  0.50000000  1.0
  Re  Re37  1  0.50000000  0.00000000  0.50000000  1.0