data_SrIn2B
_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   SrIn2B
_chemical_formula_sum   'Sr1 In2 B1'
_cell_volume   99.16
_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  0.67  0.67  0.67  1.0
  In  In1  1  0.51  0.51  0.51  1.0
  In  In2  1  0.84  0.84  0.84  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrIn2B
_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   SrIn2B
_chemical_formula_sum   'Sr3 In6 B3'
_cell_volume   297.48
_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  0.33  1.0
  In  In1  3  0.0  0.0  0.16  1.0
  In  In2  3  0.0  0.0  0.49  1.0
  B  B3  3  0.0  0.0  0.0  1.0

Sr In In B
SrIn2B crystallizes in the trigonal R3m space group. Sr(1) is bonded to one In(1), one In(2), and three equivalent B(1) atoms to form distorted SrIn2B3 trigonal bipyramids that share corners with six equivalent Sr(1)In2B3 trigonal bipyramids and  a cornercorner with one B(1)Sr3In trigonal pyramid. The Sr(1)-In(1) bond length is 2.08 Å. The Sr(1)-In(2) bond length is 2.08 Å. All Sr(1)-B(1) bond lengths are 3.00 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second In site, In(2) is bonded in a distorted linear geometry to one Sr(1) and one B(1) atom. The In(2)-B(1) bond length is 2.08 Å. B(1) is bonded to three equivalent Sr(1) and one In(2) atom to form BSr3In trigonal pyramids that share  a cornercorner with one Sr(1)In2B3 trigonal bipyramid and corners with six equivalent B(1)Sr3In trigonal pyramids.