data_NaLi4Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi4Ga
_chemical_formula_sum   'Na1 Li4 Ga1'
_cell_volume   117.17
_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
  Na  Na5  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.93  0.93  0.84  1.0
  Li  Li2  1  0.93  0.84  0.93  1.0
  Li  Li3  1  0.84  0.93  0.93  1.0
  Li  Li4  1  0.84  0.84  0.84  1.0
  Ga  Ga0  1  0.94  0.94  0.94  1.0

data_NaLi4Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   13.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaLi4Ga
_chemical_formula_sum   'Na3 Li12 Ga3'
_cell_volume   351.52
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Li  Li1  9  0.06  0.03  0.1  1.0
  Li  Li2  3  0.0  0.0  0.16  1.0
  Ga  Ga3  3  0.0  0.0  0.06  1.0

Na Li Li Li Li Ga
Na Li Li Li Li Ga 0 5 - - - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
NaLi4Ga is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three NaLi4Ga clusters. Na(1) is bonded in a single-bond geometry to one Ga(1) atom. The Na(1)-Ga(1) bond length is 0.78 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Li(2), two equivalent Li(1), and one Ga(1) atom. The Li(1)-Li(2) bond length is 0.87 Å. Both Li(1)-Li(1) bond lengths are 0.50 Å. The Li(1)-Ga(1) bond length is 0.64 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to three equivalent Li(1) atoms. Ga(1) is bonded in a 4-coordinate geometry to one Na(1) and three equivalent Li(1) atoms.