data_SrIn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2B
_chemical_formula_sum   'Sr1 In2 B1'
_cell_volume   98.78
_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  0.89  0.0  0.0  1.0
  In  In1  1  0.89  0.1  0.96  1.0
  In  In2  1  0.89  0.9  0.96  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_SrIn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   113.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn2B
_chemical_formula_sum   'Sr1 In2 B1'
_cell_volume   98.78
_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  0.0  0.89  0.0  1.0
  In  In1  1  0.96  0.89  0.1  1.0
  In  In2  1  0.96  0.89  0.9  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Sr In In B
Sr In In B 0 1 o o - 0 2 o - - 0 3 + o o 2 3 + + + 
SrIn2B crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SrIn2B cluster. Sr(1) is bonded in a 3-coordinate geometry to one In(1), one In(2), and one B(1) atom. The Sr(1)-In(1) bond length is 0.53 Å. The Sr(1)-In(2) bond length is 0.53 Å. The Sr(1)-B(1) bond length is 0.60 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 single-bond geometry to one Sr(1) and one B(1) atom. The In(2)-B(1) bond length is 0.63 Å. B(1) is bonded in a single-bond geometry to one Sr(1) and one In(2) atom.