data_TaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.6
_cell_length_b   9.6
_cell_length_c   9.6
_cell_angle_alpha   159.66
_cell_angle_beta   159.66
_cell_angle_gamma   28.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPt2
_chemical_formula_sum   'Ta2 Pt4'
_cell_volume   106.76
_cell_formula_units_Z   2
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  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.0  0.69  0.65  1.0
  Pt  Pt0  1  0.69  0.0  0.34  1.0
  Pt  Pt1  1  0.69  0.0  0.96  1.0
  Pt  Pt2  1  0.0  0.0  0.99  1.0
  Pt  Pt3  1  0.0  0.0  0.6  1.0

data_TaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.6
_cell_angle_alpha   100.17
_cell_angle_beta   100.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPt2
_chemical_formula_sum   'Ta2 Pt4'
_cell_volume   106.76
_cell_formula_units_Z   2
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
  Ta  Ta1  1  0.05  0.69  0.05  1.0
  Pt  Pt2  1  0.01  0.0  0.01  1.0
  Pt  Pt3  1  0.04  0.0  0.74  1.0
  Pt  Pt4  1  0.4  0.0  0.4  1.0
  Pt  Pt5  1  0.66  0.0  0.36  1.0

Ta Ta Pt Pt Pt Pt
Pt2Ta is alpha Niobium phosphide-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Pt cluster and one TaPt cluster. In the Pt cluster, Pt(1,4) is bonded in a distorted single-bond geometry to one Pt(1,4) atom. The Pt(1,4)-Pt(1,4) bond length is 1.04 Å. In the TaPt cluster, there are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Pt(2) and one Pt(3) atom. The Ta(1)-Pt(2) bond length is 2.54 Å. The Ta(1)-Pt(3) bond length is 0.14 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to one Pt(3) atom. The Ta(2)-Pt(3) bond length is 1.13 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded in a single-bond geometry to one Ta(1) atom. In the second Pt site, Pt(3) is bonded in a single-bond geometry to one Ta(1) and one Ta(2) atom.