The material structure described by Re6Se7Br4 crystallizes in the trigonal R3c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one Se(2), one Se(3), two equivalent Se(1), and one Br(1) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(2)Se3Br2 square pyramid, edges with two equivalent Re(2)Se3Br2 square pyramids, and edges with two equivalent Re(1)Se4Br square pyramids. In the second Re site, Re(2) is bonded to one Se(1), two equivalent Se(2), one Br(1), and one Br(2) atom to form distorted ReSe3Br2 square pyramids that share  a cornercorner with one Re(1)Se4Br square pyramid, edges with two equivalent Re(2)Se3Br2 square pyramids, and edges with two equivalent Re(1)Se4Br square pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Re(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Re(2) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to one Re(1) and one Re(2) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to three equivalent Re(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re6Se7Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.118
_cell_length_b   12.118
_cell_length_c   12.118
_cell_angle_alpha   50.331
_cell_angle_beta   50.331
_cell_angle_gamma   50.331
_symmetry_Int_Tables_number   1
_cell_volume   971.000
_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  0.529  0.391  0.684  1.0
  Re  Re1  1  0.391  0.684  0.529  1.0
  Re  Re2  1  0.684  0.529  0.391  1.0
  Re  Re3  1  0.184  0.891  0.029  1.0
  Re  Re4  1  0.891  0.029  0.184  1.0
  Re  Re5  1  0.029  0.184  0.891  1.0
  Re  Re6  1  0.473  0.611  0.316  1.0
  Re  Re7  1  0.611  0.316  0.473  1.0
  Re  Re8  1  0.316  0.473  0.611  1.0
  Re  Re9  1  0.816  0.111  0.973  1.0
  Re  Re10  1  0.111  0.973  0.816  1.0
  Re  Re11  1  0.973  0.816  0.111  1.0
  Se  Se12  1  0.809  0.243  0.543  1.0
  Se  Se13  1  0.243  0.543  0.809  1.0
  Se  Se14  1  0.543  0.809  0.243  1.0
  Se  Se15  1  0.043  0.743  0.309  1.0
  Se  Se16  1  0.743  0.309  0.043  1.0
  Se  Se17  1  0.309  0.043  0.743  1.0
  Se  Se18  1  0.192  0.758  0.456  1.0
  Se  Se19  1  0.758  0.456  0.192  1.0
  Se  Se20  1  0.456  0.192  0.758  1.0
  Se  Se21  1  0.956  0.258  0.692  1.0
  Se  Se22  1  0.258  0.692  0.956  1.0
  Se  Se23  1  0.692  0.956  0.258  1.0
  Se  Se24  1  0.598  0.598  0.598  1.0
  Se  Se25  1  0.098  0.098  0.098  1.0
  Br  Br26  1  0.954  0.549  0.247  1.0
  Br  Br27  1  0.549  0.247  0.954  1.0
  Br  Br28  1  0.247  0.954  0.549  1.0
  Br  Br29  1  0.747  0.049  0.454  1.0
  Br  Br30  1  0.049  0.454  0.747  1.0
  Br  Br31  1  0.454  0.747  0.049  1.0
  Br  Br32  1  0.398  0.398  0.398  1.0
  Br  Br33  1  0.898  0.898  0.898  1.0
[/CIF]
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The material structure described by Re6Se7Br4 crystallizes in the trigonal R3c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one Se(2), one Se(3), two equivalent Se(1), and one Br(1) atom to form distorted ReSe4Br square pyramids that share  a cornercorner with one Re(2)Se3Br2 square pyramid, edges with two equivalent Re(2)Se3Br2 square pyramids, and edges with two equivalent Re(1)Se4Br square pyramids. In the second Re site, Re(2) is bonded to one Se(1), two equivalent Se(2), one Br(1), and one Br(2) atom to form distorted ReSe3Br2 square pyramids that share  a cornercorner with one Re(1)Se4Br square pyramid, edges with two equivalent Re(2)Se3Br2 square pyramids, and edges with two equivalent Re(1)Se4Br square pyramids. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(2) and two equivalent Re(1) atoms. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Re(2) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Re(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to one Re(1) and one Re(2) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to three equivalent Re(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re6Se7Br4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.118
_cell_length_b   12.118
_cell_length_c   12.118
_cell_angle_alpha   50.331
_cell_angle_beta   50.331
_cell_angle_gamma   50.331
_symmetry_Int_Tables_number   1
_cell_volume   971.000
_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  0.529  0.391  0.684  1.0
  Re  Re1  1  0.391  0.684  0.529  1.0
  Re  Re2  1  0.684  0.529  0.391  1.0
  Re  Re3  1  0.184  0.891  0.029  1.0
  Re  Re4  1  0.891  0.029  0.184  1.0
  Re  Re5  1  0.029  0.184  0.891  1.0
  Re  Re6  1  0.473  0.611  0.316  1.0
  Re  Re7  1  0.611  0.316  0.473  1.0
  Re  Re8  1  0.316  0.473  0.611  1.0
  Re  Re9  1  0.816  0.111  0.973  1.0
  Re  Re10  1  0.111  0.973  0.816  1.0
  Re  Re11  1  0.973  0.816  0.111  1.0
  Se  Se12  1  0.809  0.243  0.543  1.0
  Se  Se13  1  0.243  0.543  0.809  1.0
  Se  Se14  1  0.543  0.809  0.243  1.0
  Se  Se15  1  0.043  0.743  0.309  1.0
  Se  Se16  1  0.743  0.309  0.043  1.0
  Se  Se17  1  0.309  0.043  0.743  1.0
  Se  Se18  1  0.192  0.758  0.456  1.0
  Se  Se19  1  0.758  0.456  0.192  1.0
  Se  Se20  1  0.456  0.192  0.758  1.0
  Se  Se21  1  0.956  0.258  0.692  1.0
  Se  Se22  1  0.258  0.692  0.956  1.0
  Se  Se23  1  0.692  0.956  0.258  1.0
  Se  Se24  1  0.598  0.598  0.598  1.0
  Se  Se25  1  0.098  0.098  0.098  1.0
  Br  Br26  1  0.954  0.549  0.247  1.0
  Br  Br27  1  0.549  0.247  0.954  1.0
  Br  Br28  1  0.247  0.954  0.549  1.0
  Br  Br29  1  0.747  0.049  0.454  1.0
  Br  Br30  1  0.049  0.454  0.747  1.0
  Br  Br31  1  0.454  0.747  0.049  1.0
  Br  Br32  1  0.398  0.398  0.398  1.0
  Br  Br33  1  0.898  0.898  0.898  1.0
[/CIF]
.