data_ReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi
_chemical_formula_sum   'Re2 Si2'
_cell_volume   60.12
_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
  Re  Re0  1  0.41  0.0  0.69  1.0
  Re  Re1  1  0.0  0.41  0.92  1.0
  Si  Si2  1  0.41  0.0  0.15  1.0
  Si  Si3  1  0.0  0.41  0.46  1.0

data_ReSi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   ReSi
_chemical_formula_sum   'Re4 Si4'
_cell_volume   120.23
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.2  0.5  0.38  1.0
  Si  Si1  4  0.2  0.5  0.85  1.0

Re Re Si Si
ReSi crystallizes in the monoclinic C2/m space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded to eight Re(1,1,1) and four Si(1,1) atoms to form a mixture of distorted face, corner, and edge-sharing ReRe8Si4 cuboctahedra. There are a spread of Re(1)-Re(1,1,1) bond distances ranging from 2.40-2.96 Å. There are a spread of Re(1)-Si(1,1) bond distances ranging from 2.39-2.95 Å. In the second Re site, Re(1) is bonded to eight Re(1,1) and four Si(1,1) atoms to form a mixture of distorted face, corner, and edge-sharing ReRe8Si4 cuboctahedra. There is one shorter (2.40 Å) and one longer (2.96 Å) Re(1)-Re(1) bond length. There are a spread of Re(1)-Si(1,1) bond distances ranging from 2.39-2.95 Å. In the third Re site, Re(1) is bonded to eight Re(1,1) and four Si(1,1) atoms to form a mixture of distorted face, corner, and edge-sharing ReRe8Si4 cuboctahedra. There are a spread of Re(1)-Si(1,1) bond distances ranging from 2.39-2.95 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four Re(1,1) and five Si(1,1) atoms. There is one shorter (2.80 Å) and four longer (2.81 Å) Si(1)-Si(1,1) bond lengths. In the second Si site, Si(1) is bonded in a 9-coordinate geometry to four Re(1,1) and five Si(1,1) atoms. Both Si(1)-Re(1) bond lengths are 2.69 Å. The Si(1)-Si(1) bond length is 2.80 Å. In the third Si site, Si(1) is bonded in a 9-coordinate geometry to four Re(1,1) and five Si(1,1) atoms. All Si(1)-Si(1) bond lengths are 2.81 Å.