data_ZnReB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   3.01
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReB2
_chemical_formula_sum   'Zn1 Re1 B2'
_cell_volume   43.48
_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  0.0  1.0
  Re  Re2  1  0.47  0.0  0.45  1.0
  B  B0  1  0.0  0.51  0.55  1.0
  B  B1  1  0.0  0.51  0.36  1.0

data_ZnReB2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   3.01
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnReB2
_chemical_formula_sum   'Zn1 Re1 B2'
_cell_volume   43.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Re  Re1  1  0.47  0.0  0.45  1.0
  B  B2  1  0.0  0.5  0.36  1.0
  B  B3  1  0.0  0.5  0.55  1.0

Zn Re B B
Zn Re B B 0 1 - o o 0 1 o o - 0 1 o o o 0 0 + o o 0 0 o + o 0 2 o - - 0 2 o - o 0 2 o o - 0 3 o - o 0 3 o o o 1 3 o - o 1 3 o o o 1 3 + - o 1 3 + o o 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 2 3 o o o 
ReZnB2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a 12-coordinate geometry to four equivalent Zn(1), four equivalent B(1), and four equivalent B(2) atoms. There are a spread of Re(1)-Zn(1) bond distances ranging from 2.61-3.11 Å. There are a spread of Re(1)-B(1) bond distances ranging from 2.08-2.23 Å. There are a spread of Re(1)-B(2) bond distances ranging from 2.08-2.23 Å. Zn(1) is bonded in a 2-coordinate geometry to four equivalent Re(1) and two equivalent B(2) atoms. There is one shorter (2.30 Å) and one longer (2.33 Å) Zn(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to four equivalent Re(1) and one B(2) atom. The B(1)-B(2) bond length is 0.92 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to four equivalent Re(1), two equivalent Zn(1), and one B(1) atom.