data_Ta2CdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdBr
_chemical_formula_sum   'Ta2 Cd1 Br1'
_cell_volume   81.23
_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  0.56  0.55  0.0  1.0
  Ta  Ta3  1  0.0  0.55  0.56  1.0
  Cd  Cd1  1  0.56  0.0  0.56  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Ta2CdBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdBr
_chemical_formula_sum   'Ta2 Cd1 Br1'
_cell_volume   81.23
_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  Ta0  1  -0.0  0.55  0.56  1.0
  Ta  Ta1  1  0.56  0.55  0.0  1.0
  Cd  Cd2  1  0.56  0.0  0.56  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Ta Ta Cd Br
Ta2CdBr crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to four equivalent Ta(2) and four equivalent Br(1) atoms. There are a spread of Ta(1)-Ta(2) bond distances ranging from 2.63-3.37 Å. There are a spread of Ta(1)-Br(1) bond distances ranging from 2.69-3.27 Å. In the second Ta site, Ta(2) is bonded in a 12-coordinate geometry to two equivalent Ta(2), four equivalent Ta(1), four equivalent Cd(1), and two equivalent Br(1) atoms. Both Ta(2)-Ta(2) bond lengths are 3.11 Å. There are a spread of Ta(2)-Cd(1) bond distances ranging from 2.69-3.27 Å. There is one shorter (3.21 Å) and one longer (3.57 Å) Ta(2)-Br(1) bond length. Cd(1) is bonded in a 2-coordinate geometry to four equivalent Ta(2) and three equivalent Br(1) atoms. There are a spread of Cd(1)-Br(1) bond distances ranging from 2.63-3.21 Å. Br(1) is bonded in a 7-coordinate geometry to two equivalent Ta(2), four equivalent Ta(1), and three equivalent Cd(1) atoms.