data_Ta2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   3.37
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAs
_chemical_formula_sum   'Ta2 Cd1 As1'
_cell_volume   80.41
_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  0.26  1.0
  Ta  Ta3  1  0.68  0.68  0.82  1.0
  Cd  Cd1  1  0.68  0.68  0.47  1.0
  As  As0  1  0.0  0.0  0.09  1.0

data_Ta2CdAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CdAs
_chemical_formula_sum   'Ta4 Cd2 As2'
_cell_volume   160.83
_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  0.26  1.0
  Ta  Ta1  2  0.18  0.5  0.82  1.0
  Cd  Cd2  2  0.18  0.5  0.47  1.0
  As  As3  2  0.0  0.0  0.09  1.0

Ta Ta Cd As
Ta Ta Cd As 0 3 o o o 0 2 - - o 1 2 o o o 1 3 + + + 
Ta2CdAs 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 three equivalent Cd(1) and one As(1) atom. There is one shorter (2.10 Å) and two longer (2.93 Å) Ta(1)-Cd(1) bond lengths. The Ta(1)-As(1) bond length is 1.20 Å. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to one Cd(1) and three equivalent As(1) atoms. The Ta(2)-Cd(1) bond length is 2.51 Å. There is one shorter (2.43 Å) and two longer (3.18 Å) Ta(2)-As(1) bond lengths. Cd(1) is bonded in a 4-coordinate geometry to one Ta(2) and three equivalent Ta(1) atoms. As(1) is bonded in a distorted single-bond geometry to one Ta(1) and three equivalent Ta(2) atoms.