data_ReSi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Se
_chemical_formula_sum   'Re1 Si2 Se1'
_cell_volume   59.77
_cell_formula_units_Z   1
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  0.74  0.0  0.0  1.0
  Si  Si2  1  0.37  0.81  0.51  1.0
  Si  Si3  1  0.37  0.19  0.51  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_ReSi2Se
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.53
_cell_length_b   3.02
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ReSi2Se
_chemical_formula_sum   'Re1 Si2 Se1'
_cell_volume   59.77
_cell_formula_units_Z   1
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
  Si  Si0  1  0.37  0.5  0.81  1.0
  Si  Si1  1  0.37  0.5  0.19  1.0
  Re  Re2  1  0.74  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Re Si Si Se
ReSi2Se crystallizes in the triclinic P1 space group. Re(1) is bonded in a single-bond geometry to two equivalent Si(1) and one Se(1) atom. There is one shorter (2.23 Å) and one longer (2.27 Å) Re(1)-Si(1) bond length. The Re(1)-Se(1) bond length is 1.18 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 6-coordinate geometry to two equivalent Re(1), two equivalent Si(2), and two equivalent Se(1) atoms. There is one shorter (1.75 Å) and one longer (2.78 Å) Si(1)-Si(2) bond length. There is one shorter (2.56 Å) and one longer (2.60 Å) Si(1)-Se(1) bond length. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to two equivalent Si(1) and two equivalent Se(1) atoms. There is one shorter (2.23 Å) and one longer (2.27 Å) Si(2)-Se(1) bond length. Se(1) is bonded in a distorted single-bond geometry to one Re(1), two equivalent Si(1), and two equivalent Si(2) atoms.