data_Ta2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TePt
_chemical_formula_sum   'Ta2 Te1 Pt1'
_cell_volume   73.39
_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  Ta1  1  0.59  0.0  0.45  1.0
  Ta  Ta2  1  0.59  0.41  0.21  1.0
  Te  Te3  1  0.0  0.0  0.86  1.0
  Pt  Pt0  1  0.0  0.41  0.69  1.0

data_Ta2TePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TePt
_chemical_formula_sum   'Ta2 Te1 Pt1'
_cell_volume   73.39
_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  0.41  0.55  0.0  1.0
  Ta  Ta1  1  0.41  0.79  0.59  1.0
  Te  Te2  1  0.0  0.14  0.0  1.0
  Pt  Pt3  1  0.0  0.31  0.59  1.0

Ta Ta Te Pt
Ta Ta Te Pt 0 2 o o o 0 2 + o o 0 1 o o o 0 1 o - o 0 3 + o o 1 3 o o - 1 3 o o o 1 3 + o - 1 3 + o o 1 2 + o - 2 3 o o o 
Ta2PtTe crystallizes in the triclinic P1 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one Ta(2), four equivalent Pt(1), and one Te(1) atom. The Ta(1)-Ta(2) bond length is 2.26 Å. There are a spread of Ta(1)-Pt(1) bond distances ranging from 2.63-3.60 Å. The Ta(1)-Te(1) bond length is 2.36 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to one Ta(1), four equivalent Pt(1), and one Te(1) atom. There are a spread of Ta(2)-Pt(1) bond distances ranging from 2.64-3.13 Å. The Ta(2)-Te(1) bond length is 2.91 Å. Pt(1) is bonded in a 12-coordinate geometry to four equivalent Ta(1), four equivalent Ta(2), two equivalent Pt(1), and two equivalent Te(1) atoms. Both Pt(1)-Pt(1) bond lengths are 3.17 Å. There is one shorter (2.11 Å) and one longer (2.97 Å) Pt(1)-Te(1) bond length. Te(1) is bonded in a 2-coordinate geometry to one Ta(1), one Ta(2), and two equivalent Pt(1) atoms.