data_ReNiB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   3.7
_cell_angle_alpha   122.23
_cell_angle_beta   122.23
_cell_angle_gamma   86.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReNiB2
_chemical_formula_sum   'Re1 Ni1 B2'
_cell_volume   34.47
_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
  Re  Re3  1  0.0  0.0  0.7  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.79  0.35  1.0
  B  B1  1  0.79  0.0  0.35  1.0

data_ReNiB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   133.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReNiB2
_chemical_formula_sum   'Re2 Ni2 B4'
_cell_volume   68.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Re  Re0  2  0.0  0.0  0.7  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  B  B2  4  0.11  0.11  0.56  1.0

Re Ni B B
Re Ni B B 0 3 - o o 0 2 o - o 0 1 o o + 2 3 - + o 
ReNiB2 crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent B(1) atoms. The Re(1)-Ni(1) bond length is 1.11 Å. Both Re(1)-B(1) bond lengths are 1.10 Å. Ni(1) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent B(1) atoms. There are two shorter (1.84 Å) and two longer (2.47 Å) Ni(1)-B(1) bond lengths. B(1) is bonded in a 3-coordinate geometry to one Re(1), two equivalent Ni(1), and one B(1) atom. The B(1)-B(1) bond length is 1.08 Å.