data_SrBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeAs2
_chemical_formula_sum   'Sr1 Be1 As2'
_cell_volume   86.2
_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  Sr3  1  0.26  0.26  0.26  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.51  0.51  0.51  1.0
  As  As1  1  0.75  0.75  0.75  1.0

data_SrBeAs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBeAs2
_chemical_formula_sum   'Sr3 Be3 As6'
_cell_volume   258.59
_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  0.74  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  As  As2  3  0.0  0.0  0.25  1.0
  As  As3  3  0.0  0.0  0.49  1.0

Sr Be As As
Sr Be As As 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 3 - - o 0 3 - o - 0 3 - o o 0 3 o - - 0 3 o - o 0 3 o o - 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
SrBeAs2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 14-coordinate geometry to four equivalent Be(1), four equivalent As(1), and six equivalent As(2) atoms. There are three shorter (3.00 Å) and one longer (3.15 Å) Sr(1)-Be(1) bond length. There is one shorter (3.00 Å) and three longer (3.05 Å) Sr(1)-As(1) bond lengths. There are three shorter (3.46 Å) and three longer (3.55 Å) Sr(1)-As(2) bond lengths. Be(1) is bonded to four equivalent Sr(1) atoms to form BeSr4 tetrahedra that share corners with four equivalent As(1)Sr4 tetrahedra, corners with twelve equivalent Be(1)Sr4 tetrahedra, and edges with six equivalent As(1)Sr4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded to four equivalent Sr(1) atoms to form AsSr4 tetrahedra that share corners with four equivalent Be(1)Sr4 tetrahedra, corners with twelve equivalent As(1)Sr4 tetrahedra, and edges with six equivalent Be(1)Sr4 tetrahedra. In the second As site, As(2) is bonded in a 11-coordinate geometry to six equivalent Sr(1) atoms.