data_Th(Re2Si)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   15.66
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th(Re2Si)2
_chemical_formula_sum   'Th4 Re16 Si8'
_cell_volume   475.97
_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  0.26  0.85  0.0  1.0
  Th  Th1  1  0.02  0.81  0.0  1.0
  Th  Th2  1  0.62  0.98  0.09  1.0
  Th  Th3  1  0.66  0.68  0.09  1.0
  Re  Re4  1  0.04  0.8  0.0  1.0
  Re  Re5  1  0.25  0.86  0.0  1.0
  Re  Re6  1  0.68  0.03  0.09  1.0
  Re  Re7  1  0.6  0.62  0.09  1.0
  Re  Re8  1  0.38  0.04  0.0  1.0
  Re  Re9  1  0.9  0.62  0.0  1.0
  Re  Re10  1  0.74  0.79  0.09  1.0
  Re  Re11  1  0.55  0.87  0.09  1.0
  Re  Re12  1  0.13  0.56  0.0  1.0
  Re  Re13  1  0.16  0.1  0.0  1.0
  Re  Re14  1  0.77  0.27  0.09  1.0
  Re  Re15  1  0.51  0.39  0.09  1.0
  Re  Re16  1  0.25  0.22  0.0  1.0
  Re  Re17  1  0.03  0.44  0.0  1.0
  Re  Re18  1  0.61  0.61  0.09  1.0
  Re  Re19  1  0.67  0.05  0.09  1.0
  Si  Si20  1  0.04  0.44  0.0  1.0
  Si  Si21  1  0.25  0.22  0.0  1.0
  Si  Si22  1  0.39  0.39  0.09  1.0
  Si  Si23  1  0.89  0.27  0.09  1.0
  Si  Si24  1  0.2  0.27  0.0  1.0
  Si  Si25  1  0.09  0.39  0.0  1.0
  Si  Si26  1  0.84  0.56  0.09  1.0
  Si  Si27  1  0.44  0.1  0.09  1.0

data_Th(Re2Si)2
_symmetry_space_group_name_H-M   P2
_cell_length_a   7.28
_cell_length_b   4.17
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Th(Re2Si)2
_chemical_formula_sum   'Th4 Re16 Si8'
_cell_volume   475.97
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  -0.0  0.52  1.0
  Th  Th1  2  0.48  0.91  0.65  1.0
  Re  Re2  2  0.01  -0.0  0.77  1.0
  Si  Si3  2  0.06  -0.0  0.94  1.0
  Re  Re4  2  0.1  -0.0  0.53  1.0
  Si  Si5  2  0.11  -0.0  0.89  1.0
  Re  Re6  2  0.11  -0.0  0.89  1.0
  Re  Re7  2  0.24  -0.0  0.71  1.0
  Si  Si8  2  0.25  0.91  0.06  1.0
  Si  Si9  2  0.3  0.91  0.77  1.0
  Re  Re10  2  0.37  0.91  0.06  1.0
  Re  Re11  2  0.4  0.91  0.54  1.0
  Re  Re12  2  0.46  0.91  0.3  1.0
  Re  Re13  2  0.47  0.91  0.28  1.0

Th Th Th Th Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Si Si Si Si Si Si Si Si 0 5 o o o 0 11 o o o 1 4 o o o 1 10 - o o 2 6 o + o 2 11 o o o 3 7 o o o 3 10 o o o 4 10 - o o 5 11 o o o 6 19 o o o 7 18 o o o 8 27 o o o 8 13 o o o 9 26 o o o 9 12 + o o 10 11 o o o 12 20 o o o 12 17 o o o 12 26 - o o 13 27 o o o 13 21 o o o 13 16 o o o 14 23 o o o 15 22 o o o 16 21 o o o 16 24 o o o 17 20 o o o 17 25 o o o 20 25 o o o 21 24 o o o 