data_Ta2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   16.52
_cell_angle_beta   16.52
_cell_angle_gamma   16.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuW
_chemical_formula_sum   'Ta2 Cu1 W1'
_cell_volume   66.81
_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  Ta1  1  0.0  0.0  0.38  1.0
  Ta  Ta2  1  0.0  0.0  0.68  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.53  1.0

data_Ta2CuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   99.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CuW
_chemical_formula_sum   'Ta4 Cu2 W2'
_cell_volume   133.63
_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  0.32  1.0
  Ta  Ta1  2  0.0  0.0  0.62  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.47  1.0

Ta Ta Cu W
Ta2WCu crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. The Ta(1)-W(1) bond length is 1.46 Å. The Ta(1)-Cu(1) bond length is 3.75 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one W(1) and one Cu(1) atom. The Ta(2)-W(1) bond length is 1.46 Å. The Ta(2)-Cu(1) bond length is 3.16 Å. W(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Ta(1); one Ta(2); and six Cu(1,1) atoms. All Cu(1)-Cu(1,1) bond lengths are 2.82 Å. In the second Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Ta(1); one Ta(2); and six Cu(1,1) atoms. The Cu(1)-Ta(1) bond length is 3.75 Å. The Cu(1)-Ta(2) bond length is 3.16 Å. Both Cu(1)-Cu(1) bond lengths are 2.82 Å.