data_BaSr4Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSr4Ga
_chemical_formula_sum   'Ba1 Sr4 Ga1'
_cell_volume   320.24
_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  0.15  0.15  0.15  1.0
  Sr  Sr2  1  0.79  0.79  0.07  1.0
  Sr  Sr3  1  0.79  0.07  0.79  1.0
  Sr  Sr4  1  0.07  0.79  0.79  1.0
  Sr  Sr5  1  0.07  0.07  0.07  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_BaSr4Ga
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   18.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSr4Ga
_chemical_formula_sum   'Ba3 Sr12 Ga3'
_cell_volume   960.73
_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  0.85  1.0
  Sr  Sr1  9  0.09  0.18  0.12  1.0
  Sr  Sr2  3  0.0  0.0  0.93  1.0
  Ga  Ga3  3  0.0  0.0  0.0  1.0

Ba Sr Sr Sr Sr Ga
Ba Sr Sr Sr Sr Ga 0 4 o o o 1 3 + o - 1 2 o + - 1 5 + + o 2 5 + o + 2 3 + - o 3 5 o + + 4 5 o o o 
BaSr4Ga is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three BaSr4Ga clusters. Ba(1) is bonded in a single-bond geometry to one Sr(2) atom. The Ba(1)-Sr(2) bond length is 1.46 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Ga(1) atom. Both Sr(1)-Sr(1) bond lengths are 2.11 Å. The Sr(1)-Ga(1) bond length is 2.49 Å. In the second Sr site, Sr(2) is bonded in a linear geometry to one Ba(1) and one Ga(1) atom. The Sr(2)-Ga(1) bond length is 1.27 Å. Ga(1) is bonded in a 4-coordinate geometry to one Sr(2) and three equivalent Sr(1) atoms.