data_TaPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   3.22
_cell_angle_alpha   104.64
_cell_angle_beta   104.64
_cell_angle_gamma   112.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtBr2
_chemical_formula_sum   'Ta1 Pt1 Br2'
_cell_volume   78.39
_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  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.03  0.0  0.0  1.0
  Br  Br0  1  0.51  0.75  0.0  1.0
  Br  Br1  1  0.51  0.25  0.0  1.0

data_TaPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.42
_cell_length_c   5.43
_cell_angle_alpha   118.24
_cell_angle_beta   104.64
_cell_angle_gamma   95.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtBr2
_chemical_formula_sum   'Ta1 Pt1 Br2'
_cell_volume   78.39
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.03  1.0
  Br  Br2  1  0.25  0.25  0.77  1.0
  Br  Br3  1  0.75  0.75  0.26  1.0

Ta Pt Br Br
TaPtBr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaPtBr2 cluster. Ta(1) is bonded in a single-bond geometry to one Pt(1) and one Br(1) atom. The Ta(1)-Pt(1) bond length is 0.16 Å. The Ta(1)-Br(1) bond length is 2.47 Å. Pt(1) is bonded in a single-bond geometry to one Ta(1) and one Br(2) atom. The Pt(1)-Br(2) bond length is 2.47 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Ta(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Pt(1) atom.