data_TaCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCu2
_chemical_formula_sum   'Ta1 Cr1 Cu2'
_cell_volume   56.33
_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  Ta3  1  0.41  0.41  0.54  1.0
  Cr  Cr0  1  0.0  0.0  0.45  1.0
  Cu  Cu1  1  0.41  0.41  0.05  1.0
  Cu  Cu2  1  0.0  0.0  0.59  1.0

data_TaCrCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCrCu2
_chemical_formula_sum   'Ta2 Cr2 Cu4'
_cell_volume   112.67
_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  0.41  0.0  0.54  1.0
  Cr  Cr1  2  0.0  0.0  0.45  1.0
  Cu  Cu2  2  0.0  0.0  0.59  1.0
  Cu  Cu3  2  0.41  0.0  0.05  1.0

Ta Cr Cu Cu
TaCrCu2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 8-coordinate geometry to four equivalent Cr(1), two equivalent Cu(1), and four equivalent Cu(2) atoms. There are a spread of Ta(1)-Cr(1) bond distances ranging from 1.74-2.42 Å. There is one shorter (3.47 Å) and one longer (3.61 Å) Ta(1)-Cu(1) bond length. There are a spread of Ta(1)-Cu(2) bond distances ranging from 1.68-2.38 Å. Cr(1) is bonded in a single-bond geometry to four equivalent Ta(1), one Cu(1), and one Cu(2) atom. The Cr(1)-Cu(1) bond length is 3.32 Å. The Cr(1)-Cu(2) bond length is 0.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to two equivalent Ta(1), one Cr(1), and four equivalent Cu(1) atoms. All Cu(1)-Cu(1) bond lengths are 2.82 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to four equivalent Ta(1) and one Cr(1) atom.