data_ReSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   12.63
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi3
_chemical_formula_sum   'Re6 Si18'
_cell_volume   353.85
_cell_formula_units_Z   6
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
  Re  Re0  1  0.39  0.0  0.44  1.0
  Re  Re1  1  0.39  0.24  0.4  1.0
  Re  Re2  1  0.39  0.39  0.4  1.0
  Re  Re3  1  0.0  0.32  0.42  1.0
  Re  Re4  1  0.0  0.56  0.46  1.0
  Re  Re5  1  0.0  0.07  0.46  1.0
  Si  Si6  1  0.53  0.23  0.79  1.0
  Si  Si7  1  0.53  0.4  0.79  1.0
  Si  Si8  1  0.54  0.0  0.16  1.0
  Si  Si9  1  0.62  0.32  0.71  1.0
  Si  Si10  1  0.63  0.55  0.07  1.0
  Si  Si11  1  0.63  0.08  0.07  1.0
  Si  Si12  1  0.39  0.32  0.37  1.0
  Si  Si13  1  0.39  0.9  0.61  1.0
  Si  Si14  1  0.39  0.73  0.61  1.0
  Si  Si15  1  0.24  0.23  0.79  1.0
  Si  Si16  1  0.24  0.4  0.79  1.0
  Si  Si17  1  0.23  0.0  0.16  1.0
  Si  Si18  1  0.16  0.32  0.71  1.0
  Si  Si19  1  0.14  0.55  0.07  1.0
  Si  Si20  1  0.14  0.08  0.07  1.0
  Si  Si21  1  0.0  0.0  0.5  1.0
  Si  Si22  1  0.0  0.58  0.26  1.0
  Si  Si23  1  0.0  0.05  0.26  1.0

data_ReSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   5.86
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi3
_chemical_formula_sum   'Re6 Si18'
_cell_volume   353.85
_cell_formula_units_Z   6
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
  Si  Si0  1  0.0  0.5  0.0  1.0
  Re  Re1  1  0.0  0.54  0.44  1.0
  Re  Re2  1  0.0  0.54  0.93  1.0
  Re  Re3  1  0.0  0.58  0.68  1.0
  Si  Si4  1  0.0  0.74  0.42  1.0
  Si  Si5  1  0.0  0.74  0.95  1.0
  Si  Si6  1  0.37  0.93  0.45  1.0
  Si  Si7  1  0.37  0.93  0.92  1.0
  Si  Si8  1  0.38  0.29  0.68  1.0
  Si  Si9  1  0.46  0.84  0.0  1.0
  Si  Si10  1  0.47  0.21  0.6  1.0
  Si  Si11  1  0.47  0.21  0.77  1.0
  Si  Si12  1  0.61  0.39  0.1  1.0
  Si  Si13  1  0.61  0.39  0.27  1.0
  Re  Re14  1  0.61  0.56  0.0  1.0
  Re  Re15  1  0.61  0.6  0.61  1.0
  Re  Re16  1  0.61  0.6  0.76  1.0
  Si  Si17  1  0.61  0.63  0.68  1.0
  Si  Si18  1  0.76  0.21  0.6  1.0
  Si  Si19  1  0.76  0.21  0.77  1.0
  Si  Si20  1  0.77  0.84  0.0  1.0
  Si  Si21  1  0.84  0.29  0.68  1.0
  Si  Si22  1  0.86  0.93  0.45  1.0
  Si  Si23  1  0.86  0.93  0.92  1.0

Re Re Re Re Re Re Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si