data_SrRe4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe4Se
_chemical_formula_sum   'Sr1 Re4 Se1'
_cell_volume   111.67
_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
  Sr  Sr5  1  0.91  0.91  0.91  1.0
  Re  Re0  1  0.86  0.86  0.79  1.0
  Re  Re1  1  0.86  0.79  0.86  1.0
  Re  Re2  1  0.79  0.86  0.86  1.0
  Re  Re3  1  0.79  0.79  0.79  1.0
  Se  Se4  1  0.0  0.0  0.0  1.0

data_SrRe4Se
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrRe4Se
_chemical_formula_sum   'Sr3 Re12 Se3'
_cell_volume   335.02
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Sr  Sr0  3  0.0  0.0  0.09  1.0
  Re  Re1  9  0.04  0.02  0.17  1.0
  Re  Re2  3  0.0  0.0  0.21  1.0
  Se  Se3  3  0.0  0.0  0.0  1.0

Sr Re Re Re Re Se
SrSe(Re)4 is Zincblende, Sphalerite structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three selanylidenestrontium molecules and three Re clusters. In each Re cluster, there are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to one Re(2) and two equivalent Re(1) atoms. The Re(1)-Re(2) bond length is 0.63 Å. Both Re(1)-Re(1) bond lengths are 0.36 Å. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms.