# generated using pymatgen
data_Th(Re2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17040475
_cell_length_b   7.21059769
_cell_length_c   15.65358358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Re2Si)2
_chemical_formula_sum   'Th4 Re16 Si8'
_cell_volume   470.72064714
_cell_formula_units_Z   4
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  0.00000000  0.58851924  0.11722388  1.0
  Th  Th1  1  0.00000000  0.41141712  0.88273983  1.0
  Th  Th2  1  0.50000000  0.08851924  0.38277612  1.0
  Th  Th3  1  0.50000000  0.91141712  0.61726017  1.0
  Re  Re4  1  -0.00000000  0.14181071  0.05142561  1.0
  Re  Re5  1  0.00000000  0.85824015  0.94848388  1.0
  Re  Re6  1  0.50000000  0.64181071  0.44857439  1.0
  Re  Re7  1  0.50000000  0.35824015  0.55151612  1.0
  Re  Re8  1  -0.00000000  0.73934809  0.32065583  1.0
  Re  Re9  1  -0.00000000  0.26067176  0.67940557  1.0
  Re  Re10  1  0.50000000  0.23934809  0.17934417  1.0
  Re  Re11  1  0.50000000  0.76067176  0.82059443  1.0
  Re  Re12  1  -0.00000000  0.43070244  0.41970297  1.0
  Re  Re13  1  -0.00000000  0.56933441  0.58036666  1.0
  Re  Re14  1  0.50000000  0.93070244  0.08029703  1.0
  Re  Re15  1  0.50000000  0.06933441  0.91963334  1.0
  Re  Re16  1  0.00000000  0.99956214  0.20643759  1.0
  Re  Re17  1  0.00000000  0.00042238  0.79353785  1.0
  Re  Re18  1  0.50000000  0.49956214  0.29356241  1.0
  Re  Re19  1  0.50000000  0.50042238  0.70646215  1.0
  Si  Si20  1  0.00000000  0.82571464  0.47409788  1.0
  Si  Si21  1  0.00000000  0.17425570  0.52593582  1.0
  Si  Si22  1  0.50000000  0.32571464  0.02590212  1.0
  Si  Si23  1  0.50000000  0.67425570  0.97406418  1.0
  Si  Si24  1  0.00000000  0.30657466  0.27314350  1.0
  Si  Si25  1  0.00000000  0.69342655  0.72686146  1.0
  Si  Si26  1  0.50000000  0.80657466  0.22685650  1.0
  Si  Si27  1  0.50000000  0.19342655  0.77313854  1.0