data_TaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPt
_chemical_formula_sum   'Ta4 Pt4'
_cell_volume   138.27
_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  Ta4  1  0.5  0.5  0.5  1.0
  Ta  Ta5  1  0.08  0.67  0.09  1.0
  Ta  Ta6  1  0.67  0.09  0.08  1.0
  Ta  Ta7  1  0.09  0.08  0.67  1.0
  Pt  Pt0  1  0.06  0.06  0.06  1.0
  Pt  Pt1  1  0.52  0.11  0.65  1.0
  Pt  Pt2  1  0.11  0.65  0.52  1.0
  Pt  Pt3  1  0.65  0.52  0.11  1.0

data_TaPt
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   TaPt
_chemical_formula_sum   'Ta12 Pt12'
_cell_volume   414.81
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.05  0.53  0.61  1.0
  Ta  Ta1  3  0.0  0.0  0.5  1.0
  Pt  Pt2  9  0.01  0.57  0.09  1.0
  Pt  Pt3  3  0.0  0.0  0.06  1.0

Ta Ta Ta Ta Pt Pt Pt Pt
TaPt is alpha As-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt(2) atoms. All Ta(1)-Pt(2) bond lengths are 2.19 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Pt(1) and two equivalent Pt(2) atoms. The Ta(2)-Pt(1) bond length is 2.06 Å. There is one shorter (2.23 Å) and one longer (2.35 Å) Ta(2)-Pt(2) bond length. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to three equivalent Ta(2) atoms. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(2) atoms.