data_LiCrCdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrCdGa
_chemical_formula_sum   'Li1 Cr1 Cd1 Ga1'
_cell_volume   66.0
_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  Cr1  1  0.21  0.21  0.21  1.0
  Cd  Cd0  1  0.81  0.81  0.81  1.0
  Ga  Ga2  1  0.6  0.6  0.6  1.0

data_LiCrCdGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCrCdGa
_chemical_formula_sum   'Li3 Cr3 Cd3 Ga3'
_cell_volume   198.0
_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  0.79  1.0
  Cd  Cd2  3  0.0  0.0  0.19  1.0
  Ga  Ga3  3  0.0  0.0  0.4  1.0

Li Cr Cd Ga
LiCrCdGa crystallizes in the trigonal R3m space group. Li(1) is bonded in a 2-coordinate geometry to one Cr(1), one Cd(1), and three equivalent Ga(1) atoms. The Li(1)-Cr(1) bond length is 2.31 Å. The Li(1)-Cd(1) bond length is 2.10 Å. All Li(1)-Ga(1) bond lengths are 2.71 Å. Cr(1) is bonded in a distorted single-bond geometry to one Li(1) and three equivalent Ga(1) atoms. All Cr(1)-Ga(1) bond lengths are 2.71 Å. Cd(1) is bonded in a 1-coordinate geometry to one Li(1) and four equivalent Ga(1) atoms. There is one shorter (2.31 Å) and three longer (2.97 Å) Cd(1)-Ga(1) bond lengths. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Cr(1), and four equivalent Cd(1) atoms.