data_ZnNiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48
_cell_length_b   3.07
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiB2
_chemical_formula_sum   'Zn1 Ni1 B2'
_cell_volume   37.92
_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
  Zn  Zn3  1  0.0  0.0  0.49  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.24  0.54  0.1  1.0
  B  B1  1  0.24  0.54  0.87  1.0

data_ZnNiB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   3.07
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiB2
_chemical_formula_sum   'Zn1 Ni1 B2'
_cell_volume   37.92
_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
  Zn  Zn0  1  0.0  0.0  0.49  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.24  0.54  0.1  1.0
  B  B3  1  0.24  0.54  0.87  1.0

Zn Ni B B
NiZnB2 crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. There is one shorter (2.41 Å) and one longer (2.56 Å) Ni(1)-Zn(1) bond length. There is one shorter (1.62 Å) and one longer (1.82 Å) Ni(1)-B(1) bond length. There is one shorter (1.67 Å) and one longer (1.86 Å) Ni(1)-B(2) bond length. Zn(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Zn(1), two equivalent B(1), and two equivalent B(2) atoms. Both Zn(1)-Zn(1) bond lengths are 2.48 Å. There is one shorter (2.47 Å) and one longer (2.60 Å) Zn(1)-B(1) bond length. There is one shorter (2.47 Å) and one longer (2.60 Å) Zn(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1), two equivalent Zn(1), and one B(2) atom. The B(1)-B(2) bond length is 1.12 Å. In the second B site, B(2) is bonded in a 1-coordinate geometry to two equivalent Ni(1), two equivalent Zn(1), and one B(1) atom.