data_Ta2CuSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23
_cell_length_b   9.23
_cell_length_c   9.23
_cell_angle_alpha   18.99
_cell_angle_beta   18.99
_cell_angle_gamma   18.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuSb
_chemical_formula_sum   'Ta2 Cu1 Sb1'
_cell_volume   72.71
_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
  Ta  Ta2  1  0.0  0.0  0.22  1.0
  Ta  Ta3  1  0.0  0.0  0.95  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.59  1.0

data_Ta2CuSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   3.04
_cell_length_c   9.23
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CuSb
_chemical_formula_sum   'Ta4 Cu2 Sb2'
_cell_volume   145.42
_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
  Ta  Ta0  2  0.0  0.0  0.05  1.0
  Ta  Ta1  2  0.0  0.0  0.78  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.41  1.0

Ta Ta Cu Sb
Ta2CuSb crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Cu(1) and one Sb(1) atom. The Ta(1)-Cu(1) bond length is 2.01 Å. The Ta(1)-Sb(1) bond length is 3.39 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Cu(1) and one Sb(1) atom. The Ta(2)-Cu(1) bond length is 0.43 Å. The Ta(2)-Sb(1) bond length is 3.39 Å. Cu(1) is bonded in a single-bond geometry to one Ta(1) and one Ta(2) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Ta(1); one Ta(2); and six Sb(1,1) atoms to form a mixture of distorted edge and corner-sharing SbTa2Sb6 hexagonal bipyramids. All Sb(1)-Sb(1,1) bond lengths are 3.04 Å. In the second Sb site, Sb(1) is bonded to one Ta(1); one Ta(2); and six Sb(1,1) atoms to form a mixture of distorted edge and corner-sharing SbTa2Sb6 hexagonal bipyramids. The Sb(1)-Ta(1) bond length is 3.39 Å. The Sb(1)-Ta(2) bond length is 3.39 Å. Both Sb(1)-Sb(1) bond lengths are 3.04 Å.