data_TaNb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   134.32
_cell_angle_beta   134.32
_cell_angle_gamma   66.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Pt
_chemical_formula_sum   'Ta1 Nb2 Pt1'
_cell_volume   70.14
_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  0.33  1.0
  Nb  Nb0  1  0.0  0.01  0.17  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.01  0.0  0.17  1.0

data_TaNb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   123.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaNb2Pt
_chemical_formula_sum   'Ta2 Nb4 Pt2'
_cell_volume   140.28
_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  0.33  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Nb  Nb2  2  0.49  0.5  0.15  1.0
  Pt  Pt3  2  0.49  0.5  0.15  1.0

Ta Nb Nb Pt
Ta Nb Nb Pt 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
TaNb2Pt crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaNb2Pt cluster. Ta(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Pt(1) atom. The Ta(1)-Nb(1) bond length is 0.91 Å. The Ta(1)-Pt(1) bond length is 0.91 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Ta(1) and one Pt(1) atom. The Nb(1)-Pt(1) bond length is 0.07 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Pt(1) atom. The Nb(2)-Pt(1) bond length is 0.82 Å. Pt(1) is bonded in a single-bond geometry to one Ta(1), one Nb(1), and one Nb(2) atom.