data_SrBe3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe3Br
_chemical_formula_sum   'Sr1 Be3 Br1'
_cell_volume   112.66
_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  Sr0  1  0.41  0.41  0.41  1.0
  Be  Be2  1  0.0  0.41  0.0  1.0
  Be  Be3  1  0.0  0.0  0.41  1.0
  Be  Be4  1  0.41  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_SrBe3Br
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBe3Br
_chemical_formula_sum   'Sr3 Be9 Br3'
_cell_volume   337.97
_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  0.41  1.0
  Be  Be1  9  0.2  0.39  0.8  1.0
  Br  Br2  3  0.0  0.0  0.0  1.0

Sr Be Be Be Br
Sr Be Be Be Br 0 4 o o o 0 2 o o o 0 2 o + o 0 2 + o o 0 1 o o o 0 1 o o + 0 1 + o o 0 3 o o o 0 3 o o + 0 3 o + o 1 4 o o o 2 4 o o o 3 4 o o o 
SrBe3Br crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 9-coordinate geometry to nine equivalent Be(1) atoms. There are three shorter (2.83 Å) and six longer (3.46 Å) Sr(1)-Be(1) bond lengths. Be(1) is bonded in a distorted single-bond geometry to three equivalent Sr(1) and one Br(1) atom. The Be(1)-Br(1) bond length is 2.00 Å. Br(1) is bonded in a distorted octahedral geometry to three equivalent Be(1) atoms.