data_BaNaBeGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaBeGa
_chemical_formula_sum   'Ba1 Na1 Be1 Ga1'
_cell_volume   99.34
_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
  Ba  Ba0  1  0.68  0.68  0.68  1.0
  Na  Na3  1  0.84  0.84  0.84  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.51  0.51  0.51  1.0

data_BaNaBeGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaNaBeGa
_chemical_formula_sum   'Ba3 Na3 Be3 Ga3'
_cell_volume   298.01
_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
  Ba  Ba0  3  0.0  0.0  0.32  1.0
  Na  Na1  3  0.0  0.0  0.16  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.49  1.0

Ba Na Be Ga
NaBaBeGa crystallizes in the trigonal R3m space group. Na(1) is bonded to one Ba(1), one Be(1), and three equivalent Ga(1) atoms to form NaBaBeGa3 trigonal bipyramids that share corners with six equivalent Na(1)BaBeGa3 trigonal bipyramids and corners with three equivalent Be(1)Ba3Na trigonal pyramids. The Na(1)-Ba(1) bond length is 2.06 Å. The Na(1)-Be(1) bond length is 2.06 Å. All Na(1)-Ga(1) bond lengths are 3.00 Å. Ba(1) is bonded in a 5-coordinate geometry to one Na(1), three equivalent Be(1), and one Ga(1) atom. All Ba(1)-Be(1) bond lengths are 3.00 Å. The Ba(1)-Ga(1) bond length is 2.06 Å. Be(1) is bonded to one Na(1) and three equivalent Ba(1) atoms to form distorted BeBa3Na trigonal pyramids that share corners with three equivalent Na(1)BaBeGa3 trigonal bipyramids and corners with six equivalent Be(1)Ba3Na trigonal pyramids. Ga(1) is bonded in a distorted single-bond geometry to three equivalent Na(1) and one Ba(1) atom.