data_Li4ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4ReTe
_chemical_formula_sum   'Li4 Re1 Te1'
_cell_volume   84.56
_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  0.33  0.33  0.64  1.0
  Li  Li1  1  0.33  0.64  0.33  1.0
  Li  Li2  1  0.64  0.33  0.33  1.0
  Li  Li3  1  0.64  0.64  0.64  1.0
  Re  Re4  1  0.23  0.23  0.23  1.0
  Te  Te5  1  0.0  0.0  0.0  1.0

data_Li4ReTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li4ReTe
_chemical_formula_sum   'Li12 Re3 Te3'
_cell_volume   253.68
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.1  0.2  0.57  1.0
  Li  Li1  3  0.0  0.0  0.36  1.0
  Re  Re2  3  0.0  0.0  0.77  1.0
  Te  Te3  3  0.0  0.0  0.0  1.0

Li Li Li Li Re Te
Li4ReTe crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Re(1), and one Te(1) atom. Both Li(1)-Li(1) bond lengths are 1.49 Å. There is one shorter (2.50 Å) and one longer (2.65 Å) Li(1)-Re(1) bond length. The Li(1)-Te(1) bond length is 2.32 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Te(1) atoms. All Li(2)-Re(1) bond lengths are 2.99 Å. All Li(2)-Te(1) bond lengths are 2.87 Å. Re(1) is bonded in a 3-coordinate geometry to three equivalent Li(2) and six equivalent Li(1) atoms. Te(1) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent Li(2) atoms.