data_CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb
_chemical_formula_sum   'Cr2 Sb2'
_cell_volume   103.67
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.09  0.21  0.4  1.0
  Cr  Cr1  1  0.0  0.42  0.82  1.0
  Sb  Sb2  1  0.09  0.21  0.95  1.0
  Sb  Sb3  1  0.0  0.42  0.54  1.0

data_CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb
_chemical_formula_sum   'Cr2 Sb2'
_cell_volume   103.67
_cell_formula_units_Z   2
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
  Cr  Cr0  1  -0.0  0.42  0.82  1.0
  Cr  Cr1  1  0.09  0.21  0.4  1.0
  Sb  Sb2  1  -0.0  0.42  0.54  1.0
  Sb  Sb3  1  0.09  0.21  0.95  1.0

Cr Cr Sb Sb
CrSb is Wurtzite structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrSb cluster. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. The Cr(1)-Sb(2) bond length is 1.47 Å. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to one Sb(1) and one Sb(2) atom. The Cr(2)-Sb(1) bond length is 1.47 Å. The Cr(2)-Sb(2) bond length is 1.87 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Cr(2) atom. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Cr(1) and one Cr(2) atom.