data_Na3Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Ga
_chemical_formula_sum   'Na6 Ga2'
_cell_volume   226.06
_cell_formula_units_Z   2
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  Na2  1  0.52  0.0  0.05  1.0
  Na  Na3  1  0.57  0.0  0.05  1.0
  Na  Na4  1  0.05  0.52  0.0  1.0
  Na  Na5  1  0.05  0.57  0.0  1.0
  Na  Na6  1  0.0  0.05  0.57  1.0
  Na  Na7  1  0.0  0.05  0.52  1.0
  Ga  Ga0  1  0.05  0.05  0.05  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_Na3Ga
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Na3Ga
_chemical_formula_sum   'Na18 Ga6'
_cell_volume   678.17
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.0  0.48  0.52  1.0
  Na  Na1  9  0.03  0.49  0.54  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.05  1.0

Na Na Na Na Na Na Ga Ga
Na Na Na Na Na Na Ga Ga 0 1 o o o 2 3 o o o 4 5 o o o 6 7 o o o 
Na3Ga crystallizes in the trigonal R3 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a linear geometry to one Na(2) and one Ga(1) atom. The Na(1)-Na(2) bond length is 0.28 Å. The Na(1)-Ga(1) bond length is 2.92 Å. In the second Na site, Na(2) is bonded in a linear geometry to one Na(1) and one Ga(2) atom. The Na(2)-Ga(2) bond length is 2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 0.48 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to three equivalent Na(2) and one Ga(1) atom.