data_LiRe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Br
_chemical_formula_sum   'Li1 Re2 Br1'
_cell_volume   66.12
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.25  0.35  0.4  1.0
  Re  Re3  1  0.25  0.65  0.4  1.0
  Br  Br0  1  0.51  0.0  0.0  1.0

data_LiRe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.01
_cell_length_c   5.33
_cell_angle_alpha   118.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Br
_chemical_formula_sum   'Li1 Re2 Br1'
_cell_volume   66.12
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.4  0.35  0.61  1.0
  Re  Re2  1  0.4  0.65  0.9  1.0
  Br  Br3  1  0.0  0.0  0.51  1.0

Li Re Re Br
LiRe2Br crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Br(1) atoms. There is one shorter (1.95 Å) and one longer (2.31 Å) Li(1)-Re(1) bond length. There is one shorter (2.63 Å) and one longer (2.70 Å) Li(1)-Br(1) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 1.56 Å. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Br(1) atoms. There is one shorter (1.95 Å) and one longer (2.31 Å) Re(2)-Br(1) bond length. Br(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Re(2) atoms.