data_BaLi2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Re
_chemical_formula_sum   'Ba1 Li2 Re1'
_cell_volume   78.06
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.51  0.22  0.46  1.0
  Li  Li2  1  0.51  0.78  0.46  1.0
  Re  Re3  1  0.01  0.0  0.0  1.0

data_BaLi2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   111.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Re
_chemical_formula_sum   'Ba1 Li2 Re1'
_cell_volume   78.06
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.46  0.51  0.22  1.0
  Li  Li2  1  0.46  0.51  0.78  1.0
  Re  Re3  1  -0.0  0.01  0.0  1.0

Ba Li Li Re
Ba Li Li Re 0 3 o o o 0 1 o o o 0 1 o o - 0 2 - - o 0 2 - - - 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o - o 1 1 o o + 2 3 + + o 2 3 + + + 2 2 o o + 
Li2BaRe crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent Li(2) and two equivalent Re(1) atoms. There is one shorter (2.39 Å) and one longer (2.98 Å) Li(1)-Li(2) bond length. There is one shorter (2.81 Å) and one longer (2.94 Å) Li(1)-Re(1) bond length. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Ba(1) atoms. Both Li(2)-Li(2) bond lengths are 2.92 Å. There is one shorter (2.81 Å) and one longer (2.94 Å) Li(2)-Ba(1) bond length. Ba(1) is bonded in a single-bond geometry to two equivalent Li(2) and one Re(1) atom. The Ba(1)-Re(1) bond length is 0.06 Å. Re(1) is bonded in a single-bond geometry to two equivalent Li(1) and one Ba(1) atom.