data_SrBAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBAs4
_chemical_formula_sum   'Sr1 B1 As4'
_cell_volume   129.71
_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
  Sr  Sr5  1  0.01  0.01  0.01  1.0
  B  B4  1  0.0  0.0  0.0  1.0
  As  As0  1  0.07  0.97  0.97  1.0
  As  As1  1  0.97  0.97  0.07  1.0
  As  As2  1  0.97  0.07  0.97  1.0
  As  As3  1  0.07  0.07  0.07  1.0

data_SrBAs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   13.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBAs4
_chemical_formula_sum   'Sr3 B3 As12'
_cell_volume   389.14
_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
  Sr  Sr0  3  0.0  0.0  0.99  1.0
  B  B1  3  0.0  0.0  0.0  1.0
  As  As2  9  0.03  0.07  1.0  1.0
  As  As3  3  0.0  0.0  0.93  1.0

Sr B As As As As
Sr B As As As As 0 1 o o o 0 2 o - - 0 3 - - o 0 4 - o - 0 5 o o o 1 2 o - - 1 3 - - o 1 4 - o - 1 5 o o o 2 5 o + + 3 5 + + o 4 5 + o + 
SrBAs4 is Cubic alpha N2-derived structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three SrBAs4 clusters. Sr(1) is bonded in a single-bond geometry to one B(1), one As(2), and three equivalent As(1) atoms. The Sr(1)-B(1) bond length is 0.12 Å. The Sr(1)-As(2) bond length is 0.84 Å. All Sr(1)-As(1) bond lengths are 0.36 Å. B(1) is bonded in a single-bond geometry to one Sr(1) atom. There are two inequivalent As sites. In the first As site, As(2) is bonded in a single-bond geometry to one Sr(1) atom. In the second As site, As(1) is bonded in a single-bond geometry to one Sr(1) atom.