data_Ta2CuMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.8
_cell_length_b   9.8
_cell_length_c   9.8
_cell_angle_alpha   16.54
_cell_angle_beta   16.54
_cell_angle_gamma   16.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuMo
_chemical_formula_sum   'Ta2 Cu1 Mo1'
_cell_volume   66.55
_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  0.63  1.0
  Ta  Ta3  1  0.0  0.0  0.36  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.5  1.0

data_Ta2CuMo
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   99.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Ta2CuMo
_chemical_formula_sum   'Ta4 Cu2 Mo2'
_cell_volume   133.09
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.37  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.5  1.0

Ta Ta Cu Mo
Ta Ta Cu Mo 0 3 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
Ta2MoCu 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 Mo(1) and one Cu(1) atom. The Ta(1)-Mo(1) bond length is 1.32 Å. The Ta(1)-Cu(1) bond length is 3.61 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Mo(1) and one Cu(1) atom. The Ta(2)-Mo(1) bond length is 1.32 Å. The Ta(2)-Cu(1) bond length is 3.54 Å. Mo(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 to one Ta(1); one Ta(2); and six Cu(1,1) atoms to form a mixture of corner and edge-sharing CuTa2Cu6 hexagonal bipyramids. All Cu(1)-Cu(1,1) bond lengths are 2.82 Å. In the second Cu site, Cu(1) is bonded to one Ta(1); one Ta(2); and six Cu(1,1) atoms to form a mixture of corner and edge-sharing CuTa2Cu6 hexagonal bipyramids. The Cu(1)-Ta(1) bond length is 3.61 Å. The Cu(1)-Ta(2) bond length is 3.54 Å. Both Cu(1)-Cu(1) bond lengths are 2.82 Å.