data_Cr2CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CuSb
_chemical_formula_sum   'Cr2 Cu1 Sb1'
_cell_volume   57.17
_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
  Cr  Cr0  1  0.0  0.0  0.19  1.0
  Cr  Cr1  1  0.6  0.6  0.33  1.0
  Cu  Cu2  1  0.0  0.0  0.68  1.0
  Sb  Sb3  1  0.6  0.6  0.16  1.0

data_Cr2CuSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2CuSb
_chemical_formula_sum   'Cr4 Cu2 Sb2'
_cell_volume   114.34
_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
  Cr  Cr0  2  0.0  0.0  0.19  1.0
  Cr  Cr1  2  0.1  0.5  0.33  1.0
  Cu  Cu2  2  0.0  0.0  0.68  1.0
  Sb  Sb3  2  0.1  0.5  0.16  1.0

Cr Cr Cu Sb
Cr2CuSb crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to two equivalent Cu(1) and one Sb(1) atom. There is one shorter (2.75 Å) and one longer (2.83 Å) Cr(1)-Cu(1) bond length. The Cr(1)-Sb(1) bond length is 1.81 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to four Cu(1,1) and one Sb(1) atom. There are a spread of Cr(2)-Cu(1,1) bond distances ranging from 2.67-3.35 Å. The Cr(2)-Sb(1) bond length is 0.93 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Cr(1), four equivalent Cr(2), four equivalent Cu(1), and one Sb(1) atom. All Cu(1)-Cu(1) bond lengths are 3.20 Å. The Cu(1)-Sb(1) bond length is 3.24 Å. In the second Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Cr(1), four equivalent Cr(2), four equivalent Cu(1), and one Sb(1) atom. There is one shorter (2.75 Å) and one longer (2.83 Å) Cu(1)-Cr(1) bond length. The Cu(1)-Sb(1) bond length is 3.24 Å. Sb(1) is bonded in a single-bond geometry to one Cr(1), one Cr(2), and one Cu(1) atom.