data_NiB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB2Rh
_chemical_formula_sum   'Ni1 B2 Rh1'
_cell_volume   36.56
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.84  0.0  0.98  1.0
  B  B1  1  0.84  0.0  0.06  1.0
  Rh  Rh3  1  0.0  0.0  0.52  1.0

data_NiB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiB2Rh
_chemical_formula_sum   'Ni1 B2 Rh1'
_cell_volume   36.56
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.84  0.0  0.06  1.0
  B  B2  1  0.84  0.0  0.98  1.0
  Rh  Rh3  1  0.0  0.0  0.52  1.0

Ni B B Rh
RhNiB2 crystallizes in the triclinic P1 space group. Rh(1) is bonded in a 7-coordinate geometry to four equivalent Rh(1), one Ni(1), one B(1), and one B(2) atom. All Rh(1)-Rh(1) bond lengths are 2.70 Å. The Rh(1)-Ni(1) bond length is 2.42 Å. The Rh(1)-B(1) bond length is 2.37 Å. The Rh(1)-B(2) bond length is 2.37 Å. Ni(1) is bonded in a 2-coordinate geometry to one Rh(1), one B(1), and one B(2) atom. The Ni(1)-B(1) bond length is 0.45 Å. The Ni(1)-B(2) bond length is 0.53 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted L-shaped geometry to one Rh(1), one Ni(1), and one B(2) atom. The B(1)-B(2) bond length is 0.39 Å. In the second B site, B(2) is bonded in a 2-coordinate geometry to one Rh(1), one Ni(1), and one B(1) atom.