# generated using pymatgen
data_Th(Al5Re)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89730886
_cell_length_b   6.89736799
_cell_length_c   9.21750203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.10311159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Al5Re)2
_chemical_formula_sum   'Th2 Al20 Re4'
_cell_volume   435.14133918
_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  0.87098613  0.12897376  0.75000000  1.0
  Th  Th1  1  0.12901387  0.87102624  0.25000000  1.0
  Al  Al2  1  0.51967889  0.78407371  0.75000000  1.0
  Al  Al3  1  0.48032111  0.21592629  0.25000000  1.0
  Al  Al4  1  0.59744170  0.86113919  0.25000000  1.0
  Al  Al5  1  0.77189411  0.77190024  0.99999751  1.0
  Al  Al6  1  0.15834892  0.84166680  0.60088311  1.0
  Al  Al7  1  0.22810589  0.22809976  0.00000249  1.0
  Al  Al8  1  0.13886372  0.40255037  0.25000000  1.0
  Al  Al9  1  0.62227565  0.37771246  0.95889878  1.0
  Al  Al10  1  0.84165108  0.15833320  0.10088311  1.0
  Al  Al11  1  0.37772435  0.62228754  0.45889878  1.0
  Al  Al12  1  0.15834892  0.84166680  0.89911689  1.0
  Al  Al13  1  0.21594579  0.48032986  0.75000000  1.0
  Al  Al14  1  0.37772435  0.62228754  0.04110122  1.0
  Al  Al15  1  0.84165108  0.15833320  0.39911689  1.0
  Al  Al16  1  0.62227565  0.37771246  0.54110122  1.0
  Al  Al17  1  0.40255830  0.13886081  0.75000000  1.0
  Al  Al18  1  0.78405421  0.51967014  0.25000000  1.0
  Al  Al19  1  0.77189411  0.77190024  0.50000249  1.0
  Al  Al20  1  0.22810589  0.22809976  0.49999751  1.0
  Al  Al21  1  0.86113628  0.59744963  0.75000000  1.0
  Re  Re22  1  0.00000000  0.50000000  0.50000000  1.0
  Re  Re23  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re24  1  0.50000000  0.00000000  0.00000000  1.0
  Re  Re25  1  0.50000000  0.00000000  0.50000000  1.0