data_InNi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   141.57
_cell_angle_beta   116.1
_cell_angle_gamma   77.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2B
_chemical_formula_sum   'In1 Ni2 B1'
_cell_volume   51.01
_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
  In  In1  1  0.0  0.0  0.55  1.0
  Ni  Ni2  1  0.49  0.0  0.27  1.0
  Ni  Ni3  1  0.0  0.4  0.28  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_InNi2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   63.9
_cell_angle_beta   70.78
_cell_angle_gamma   70.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2B
_chemical_formula_sum   'In1 Ni2 B1'
_cell_volume   51.01
_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
  In  In0  1  0.0  0.0  0.55  1.0
  Ni  Ni1  1  0.0  0.51  0.27  1.0
  Ni  Ni2  1  0.4  0.0  0.88  1.0
  B  B3  1  0.0  0.0  0.0  1.0

In Ni Ni B
Ni2InB crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to one In(1) and one B(1) atom. The Ni(1)-In(1) bond length is 2.08 Å. The Ni(1)-B(1) bond length is 2.03 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to two equivalent In(1) and one B(1) atom. There is one shorter (1.91 Å) and one longer (2.20 Å) Ni(2)-In(1) bond length. The Ni(2)-B(1) bond length is 1.15 Å. In(1) is bonded in a 5-coordinate geometry to one Ni(1), two equivalent Ni(2), and two equivalent B(1) atoms. There is one shorter (2.04 Å) and one longer (2.50 Å) In(1)-B(1) bond length. B(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and two equivalent In(1) atoms.