data_GaReSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.3
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   92.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReSb2
_chemical_formula_sum   'Ga1 Re1 Sb2'
_cell_volume   82.26
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.8  0.0  0.84  1.0
  Sb  Sb2  1  0.4  0.65  0.47  1.0
  Sb  Sb3  1  0.45  0.65  0.2  1.0

data_GaReSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.3
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   92.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReSb2
_chemical_formula_sum   'Ga1 Re1 Sb2'
_cell_volume   82.26
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.8  0.0  0.84  1.0
  Sb  Sb2  1  0.4  0.65  0.47  1.0
  Sb  Sb3  1  0.45  0.65  0.2  1.0

Ga Re Sb Sb
Ga Re Sb Sb 0 1 - o - 0 3 o - o 2 3 o o o 
ReGaSb2 crystallizes in the triclinic P1 space group. Re(1) is bonded in a single-bond geometry to one Ga(1) and one Sb(1) atom. The Re(1)-Ga(1) bond length is 1.38 Å. The Re(1)-Sb(1) bond length is 3.26 Å. Ga(1) is bonded in a 1-coordinate geometry to one Re(1) and three equivalent Sb(2) atoms. There are a spread of Ga(1)-Sb(2) bond distances ranging from 2.39-2.99 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one Re(1), one Sb(2), and four equivalent Sb(1) atoms. The Sb(1)-Sb(2) bond length is 2.07 Å. There are two shorter (3.25 Å) and two longer (3.30 Å) Sb(1)-Sb(1) bond lengths. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to three equivalent Ga(1) and one Sb(1) atom.