data_LiScRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScRe
_chemical_formula_sum   'Li1 Sc1 Re1'
_cell_volume   52.06
_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  0.16  1.0
  Sc  Sc2  1  0.0  0.63  0.94  1.0
  Re  Re1  1  0.41  0.81  0.49  1.0

data_LiScRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScRe
_chemical_formula_sum   'Li1 Sc1 Re1'
_cell_volume   52.06
_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  0.16  1.0
  Sc  Sc1  1  0.0  0.63  0.94  1.0
  Re  Re2  1  0.41  0.81  0.49  1.0

Li Sc Re
Li Sc Re 0 1 o - - 0 2 o o o 0 2 o - o 0 2 - - o 2 2 + + o 2 2 o + o 2 2 + o o 
LiScRe crystallizes in the triclinic P1 space group. Li(1) is bonded in a 1-coordinate geometry to two equivalent Sc(1) and three equivalent Re(1) atoms. There is one shorter (2.00 Å) and one longer (2.45 Å) Li(1)-Sc(1) bond length. There are two shorter (2.87 Å) and one longer (3.16 Å) Li(1)-Re(1) bond length. Sc(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) and one Re(1) atom. The Sc(1)-Re(1) bond length is 3.57 Å. Re(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), one Sc(1), and six equivalent Re(1) atoms. All Re(1)-Re(1) bond lengths are 2.81 Å.