data_LiCrBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrBiAu
_chemical_formula_sum   'Li1 Cr1 Bi1 Au1'
_cell_volume   80.72
_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  Li3  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.72  0.72  0.72  1.0
  Bi  Bi1  1  0.43  0.43  0.43  1.0
  Au  Au0  1  0.15  0.15  0.15  1.0

data_LiCrBiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   11.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCrBiAu
_chemical_formula_sum   'Li3 Cr3 Bi3 Au3'
_cell_volume   242.16
_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  0.28  1.0
  Bi  Bi2  3  0.0  0.0  0.57  1.0
  Au  Au3  3  0.0  0.0  0.85  1.0

Li Cr Bi Au
LiCrAuBi crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to four equivalent Cr(1), one Au(1), and three equivalent Bi(1) atoms. There are three shorter (2.86 Å) and one longer (3.39 Å) Li(1)-Cr(1) bond length. The Li(1)-Au(1) bond length is 1.73 Å. All Li(1)-Bi(1) bond lengths are 3.03 Å. Cr(1) is bonded in a 11-coordinate geometry to four equivalent Li(1), three equivalent Au(1), and four equivalent Bi(1) atoms. All Cr(1)-Au(1) bond lengths are 3.03 Å. There are three shorter (2.86 Å) and one longer (3.39 Å) Cr(1)-Bi(1) bond length. Au(1) is bonded in a single-bond geometry to one Li(1), three equivalent Cr(1), and four equivalent Bi(1) atoms. There are three shorter (2.86 Å) and one longer (3.39 Å) Au(1)-Bi(1) bond length. Bi(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent Cr(1), and four equivalent Au(1) atoms.