data_Cr2InB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.06
_cell_angle_alpha   115.87
_cell_angle_beta   115.87
_cell_angle_gamma   45.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InB
_chemical_formula_sum   'Cr2 In1 B1'
_cell_volume   54.02
_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
  Cr  Cr1  1  0.1  0.0  0.99  1.0
  Cr  Cr2  1  0.07  0.0  0.57  1.0
  In  In3  1  0.9  0.0  0.26  1.0
  B  B0  1  0.97  0.0  0.33  1.0

data_Cr2InB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.12
_cell_length_c   4.94
_cell_angle_alpha   67.2
_cell_angle_beta   71.21
_cell_angle_gamma   67.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2InB
_chemical_formula_sum   'Cr2 In1 B1'
_cell_volume   54.02
_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
  Cr  Cr0  1  0.0  0.11  0.99  1.0
  Cr  Cr1  1  0.0  0.49  0.57  1.0
  In  In2  1  0.0  0.64  0.26  1.0
  B  B3  1  0.0  0.64  0.33  1.0

Cr Cr In B
Cr Cr In B 0 1 o o o 0 3 - o + 0 2 - o + 1 3 - o o 2 3 o o o 
Cr2InB crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cr2InB cluster. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one In(1) atom. The Cr(1)-In(1) bond length is 1.86 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one B(1) atom. The Cr(2)-B(1) bond length is 1.12 Å. In(1) is bonded in a single-bond geometry to one Cr(1) and one B(1) atom. The In(1)-B(1) bond length is 0.36 Å. B(1) is bonded in a distorted bent 150 degrees geometry to one Cr(2) and one In(1) atom.