# generated using pymatgen
data_Th2Al9RePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68195068
_cell_length_b   7.68195086
_cell_length_c   9.52159400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.66947287
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al9RePd2
_chemical_formula_sum   'Th4 Al18 Re2 Pd4'
_cell_volume   493.00493906
_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  0.99402037  0.68432279  0.25000000  1.0
  Th  Th1  1  0.00597963  0.31567721  0.75000000  1.0
  Th  Th2  1  0.68432279  0.99402037  0.25000000  1.0
  Th  Th3  1  0.31567721  0.00597963  0.75000000  1.0
  Al  Al4  1  0.14291567  0.14291567  0.25000000  1.0
  Al  Al5  1  0.85708433  0.85708433  0.75000000  1.0
  Al  Al6  1  0.00707324  0.33805095  0.07737155  1.0
  Al  Al7  1  0.99292676  0.66194905  0.92262845  1.0
  Al  Al8  1  0.99292676  0.66194905  0.57737155  1.0
  Al  Al9  1  0.33805095  0.00707324  0.42262845  1.0
  Al  Al10  1  0.00707324  0.33805095  0.42262845  1.0
  Al  Al11  1  0.66194905  0.99292676  0.57737155  1.0
  Al  Al12  1  0.66194905  0.99292676  0.92262845  1.0
  Al  Al13  1  0.33805095  0.00707324  0.07737155  1.0
  Al  Al14  1  0.33348071  0.33348071  0.53930946  1.0
  Al  Al15  1  0.66651929  0.66651929  0.46069054  1.0
  Al  Al16  1  0.66651929  0.66651929  0.03930946  1.0
  Al  Al17  1  0.33348071  0.33348071  0.96069054  1.0
  Al  Al18  1  0.34820167  0.55239069  0.25000000  1.0
  Al  Al19  1  0.65179833  0.44760931  0.75000000  1.0
  Al  Al20  1  0.55239069  0.34820167  0.25000000  1.0
  Al  Al21  1  0.44760931  0.65179833  0.75000000  1.0
  Re  Re22  1  0.00000000  0.00000000  0.00000000  1.0
  Re  Re23  1  0.00000000  0.00000000  0.50000000  1.0
  Pd  Pd24  1  0.67275452  0.32724548  0.00000000  1.0
  Pd  Pd25  1  0.32724548  0.67275452  0.00000000  1.0
  Pd  Pd26  1  0.32724548  0.67275452  0.50000000  1.0
  Pd  Pd27  1  0.67275452  0.32724548  0.50000000  1.0