data_LiCrRe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrRe4
_chemical_formula_sum   'Li1 Cr1 Re4'
_cell_volume   95.55
_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  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.44  0.44  0.44  1.0
  Re  Re2  1  0.54  0.54  0.72  1.0
  Re  Re3  1  0.54  0.72  0.54  1.0
  Re  Re4  1  0.72  0.54  0.54  1.0
  Re  Re5  1  0.72  0.72  0.72  1.0

data_LiCrRe4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCrRe4
_chemical_formula_sum   'Li3 Cr3 Re12'
_cell_volume   286.65
_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  3  0.0  0.0  0.0  1.0
  Cr  Cr1  3  0.0  0.0  0.56  1.0
  Re  Re2  9  0.06  0.12  0.4  1.0
  Re  Re3  3  0.0  0.0  0.28  1.0

Li Cr Re Re Re Re
LiCrRe4 crystallizes in the trigonal R3m space group. Li(1) is bonded in a 13-coordinate geometry to three equivalent Cr(1), four equivalent Re(2), and six equivalent Re(1) atoms. All Li(1)-Cr(1) bond lengths are 3.27 Å. There are three shorter (3.03 Å) and one longer (3.53 Å) Li(1)-Re(2) bond length. All Li(1)-Re(1) bond lengths are 2.87 Å. Cr(1) is bonded in a 12-coordinate geometry to three equivalent Li(1), three equivalent Re(2), and six equivalent Re(1) atoms. All Cr(1)-Re(2) bond lengths are 3.05 Å. There are three shorter (2.03 Å) and three longer (3.30 Å) Cr(1)-Re(1) bond lengths. There are two inequivalent Re sites. In the first Re site, Re(2) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Cr(1), and three equivalent Re(1) atoms. All Re(2)-Re(1) bond lengths are 1.61 Å. In the second Re site, Re(1) is bonded in a 2-coordinate geometry to two equivalent Li(1), two equivalent Cr(1), one Re(2), and two equivalent Re(1) atoms. Both Re(1)-Re(1) bond lengths are 0.93 Å.