data_LiRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Mo
_chemical_formula_sum   'Li1 Re2 Mo1'
_cell_volume   60.78
_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  Re2  1  0.53  0.0  0.8  1.0
  Re  Re3  1  0.53  0.0  0.32  1.0
  Mo  Mo1  1  0.0  0.0  0.56  1.0

data_LiRe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Mo
_chemical_formula_sum   'Li1 Re2 Mo1'
_cell_volume   60.78
_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  0.53  0.0  0.32  1.0
  Re  Re2  1  0.53  0.0  0.8  1.0
  Mo  Mo3  1  0.0  0.0  0.56  1.0

Li Re Re Mo
Li Re Re Mo 0 1 - o - 0 1 o o - 0 0 o + o 0 0 + o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
LiMoRe2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Re(1) and two equivalent Re(2) atoms. There is one shorter (2.25 Å) and one longer (2.33 Å) Li(1)-Re(1) bond length. There is one shorter (3.20 Å) and one longer (3.26 Å) Li(1)-Re(2) bond length. Mo(1) is bonded in a 4-coordinate geometry to two equivalent Re(1) and two equivalent Re(2) atoms. There is one shorter (2.50 Å) and one longer (2.57 Å) Mo(1)-Re(1) bond length. There is one shorter (2.50 Å) and one longer (2.57 Å) Mo(1)-Re(2) bond length. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) and two equivalent Mo(1) atoms. In the second Re site, Re(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Mo(1), and four equivalent Re(2) atoms. All Re(2)-Re(2) bond lengths are 2.66 Å.