data_LiRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Te
_chemical_formula_sum   'Li1 Re2 Te1'
_cell_volume   64.04
_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  0.84  1.0
  Re  Re1  1  0.6  0.6  0.22  1.0
  Re  Re2  1  0.0  0.0  0.35  1.0
  Te  Te3  1  0.6  0.6  0.31  1.0

data_LiRe2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiRe2Te
_chemical_formula_sum   'Li2 Re4 Te2'
_cell_volume   128.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.84  1.0
  Re  Re1  2  0.0  0.0  0.35  1.0
  Re  Re2  2  0.1  0.5  0.22  1.0
  Te  Te3  2  0.1  0.5  0.31  1.0

Li Re Re Te
Li Re Re Te 0 3 - - o 0 3 - - + 0 3 - o + 0 3 o - + 0 1 - - + 0 1 - o + 0 1 o - + 0 1 o o + 0 0 + o o 0 0 o + o 0 2 o o o 0 2 o o + 1 3 o o o 1 2 + + o 2 3 - - o 2 3 - o o 2 3 o - o 
LiRe2Te crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 2-coordinate geometry to one Re(1) and one Re(2) atom. The Li(1)-Re(1) bond length is 3.02 Å. The Li(1)-Re(2) bond length is 3.02 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Li(1) and one Te(1) atom. The Re(1)-Te(1) bond length is 0.58 Å. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to one Li(1) and three equivalent Te(1) atoms. There is one shorter (1.85 Å) and two longer (2.31 Å) Re(2)-Te(1) bond lengths. Te(1) is bonded in a single-bond geometry to one Re(1) and three equivalent Re(2) atoms.