data_CuSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu1 Sb3'
_cell_volume   95.63
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.44  0.44  0.44  1.0
  Sb  Sb2  1  0.63  0.63  0.63  1.0
  Sb  Sb3  1  0.81  0.81  0.81  1.0

data_CuSb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CuSb3
_chemical_formula_sum   'Cu3 Sb9'
_cell_volume   286.9
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.19  1.0
  Sb  Sb2  3  0.0  0.0  0.37  1.0
  Sb  Sb3  3  0.0  0.0  0.56  1.0

Cu Sb Sb Sb
CuSb3 crystallizes in the trigonal R3m space group. Cu(1) is bonded in a 7-coordinate geometry to one Sb(3), three equivalent Sb(1), and three equivalent Sb(2) atoms. The Cu(1)-Sb(3) bond length is 2.33 Å. All Cu(1)-Sb(1) bond lengths are 3.28 Å. All Cu(1)-Sb(2) bond lengths are 3.00 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to three equivalent Cu(1), one Sb(2), and three equivalent Sb(3) atoms. The Sb(1)-Sb(2) bond length is 2.33 Å. All Sb(1)-Sb(3) bond lengths are 3.00 Å. In the second Sb site, Sb(2) is bonded to three equivalent Cu(1), one Sb(1), and one Sb(3) atom to form distorted corner-sharing SbCu3Sb2 trigonal bipyramids. The Sb(2)-Sb(3) bond length is 2.33 Å. In the third Sb site, Sb(3) is bonded in a 2-coordinate geometry to one Cu(1), one Sb(2), and three equivalent Sb(1) atoms.