data_TaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPt2
_chemical_formula_sum   'Ta4 Pt8'
_cell_volume   201.25
_cell_formula_units_Z   4
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  Ta8  1  0.0  0.02  0.48  1.0
  Ta  Ta9  1  0.0  0.02  0.76  1.0
  Ta  Ta10  1  0.62  0.51  0.72  1.0
  Ta  Ta11  1  0.62  0.51  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.24  1.0
  Pt  Pt2  1  0.0  0.54  0.36  1.0
  Pt  Pt3  1  0.72  0.76  0.36  1.0
  Pt  Pt4  1  0.34  0.77  0.12  1.0
  Pt  Pt5  1  0.28  0.76  0.36  1.0
  Pt  Pt6  1  0.9  0.77  0.12  1.0
  Pt  Pt7  1  0.62  0.99  0.12  1.0

data_TaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPt2
_chemical_formula_sum   'Ta4 Pt8'
_cell_volume   201.25
_cell_formula_units_Z   4
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  0.02  0.48  1.0
  Ta  Ta1  1  0.0  0.02  0.76  1.0
  Ta  Ta2  1  0.62  0.51  0.0  1.0
  Ta  Ta3  1  0.62  0.51  0.72  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.24  1.0
  Pt  Pt6  1  0.0  0.54  0.36  1.0
  Pt  Pt7  1  0.28  0.76  0.36  1.0
  Pt  Pt8  1  0.34  0.77  0.12  1.0
  Pt  Pt9  1  0.62  0.99  0.12  1.0
  Pt  Pt10  1  0.72  0.76  0.36  1.0
  Pt  Pt11  1  0.9  0.77  0.12  1.0

Ta Ta Ta Ta Pt Pt Pt Pt Pt Pt Pt Pt
Ta Ta Ta Ta Pt Pt Pt Pt Pt Pt Pt Pt 0 7 - - o 0 5 o o o 0 1 o o o 1 2 - - o 1 4 o o + 2 3 o o + 3 10 o o o 4 10 - - o 5 7 - - o 5 10 - - o 6 9 o o o 8 11 o o o 
Pt2Ta crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Pt(2) and one Pt(4) atom. The Ta(1)-Pt(2) bond length is 2.03 Å. The Ta(1)-Pt(4) bond length is 1.75 Å. In the second Ta site, Ta(2) is bonded in a single-bond geometry to two equivalent Ta(3) and one Pt(1) atom. There is one shorter (2.44 Å) and one longer (2.97 Å) Ta(2)-Ta(3) bond length. The Ta(2)-Pt(1) bond length is 2.03 Å. In the third Ta site, Ta(3) is bonded in a 5-coordinate geometry to one Ta(4), two equivalent Ta(2), one Pt(3), and one Pt(4) atom. The Ta(3)-Ta(4) bond length is 2.38 Å. The Ta(3)-Pt(3) bond length is 3.61 Å. The Ta(3)-Pt(4) bond length is 3.26 Å. In the fourth Ta site, Ta(4) is bonded in a distorted single-bond geometry to one Ta(3), one Pt(5), one Pt(7), and one Pt(8) atom. The Ta(4)-Pt(5) bond length is 2.66 Å. The Ta(4)-Pt(7) bond length is 1.75 Å. The Ta(4)-Pt(8) bond length is 2.90 Å. There are eight inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 2-coordinate geometry to one Ta(2) and one Pt(7) atom. The Pt(1)-Pt(7) bond length is 1.46 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Ta(1), one Pt(4), and one Pt(7) atom. The Pt(2)-Pt(4) bond length is 1.71 Å. The Pt(2)-Pt(7) bond length is 1.46 Å. In the third Pt site, Pt(3) is bonded in a 1-coordinate geometry to one Ta(3) and one Pt(6) atom. The Pt(3)-Pt(6) bond length is 1.35 Å. In the fourth Pt site, Pt(4) is bonded in a distorted single-bond geometry to one Ta(1), one Ta(3), and one Pt(2) atom. In the fifth Pt site, Pt(5) is bonded in a 4-coordinate geometry to one Ta(4), one Pt(6), one Pt(7), and one Pt(8) atom. The Pt(5)-Pt(6) bond length is 2.05 Å. The Pt(5)-Pt(7) bond length is 2.28 Å. The Pt(5)-Pt(8) bond length is 1.35 Å. In the sixth Pt site, Pt(6) is bonded in a 1-coordinate geometry to one Pt(3) and one Pt(5) atom. In the seventh Pt site, Pt(7) is bonded in a 3-coordinate geometry to one Ta(4), one Pt(1), one Pt(2), and one Pt(5) atom. In the eighth Pt site, Pt(8) is bonded in a 2-coordinate geometry to one Ta(4) and one Pt(5) atom.