data_In2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2TePt
_chemical_formula_sum   'In2 Te1 Pt1'
_cell_volume   94.84
_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
  In  In0  1  0.66  0.66  0.65  1.0
  In  In1  1  0.66  0.66  1.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.33  1.0

data_In2TePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2TePt
_chemical_formula_sum   'In4 Te2 Pt2'
_cell_volume   189.68
_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
  In  In0  2  0.16  0.5  0.65  1.0
  In  In1  2  0.16  0.5  1.0  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.33  1.0

In In Te Pt
PtIn2Te crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Pt(1), one In(1), one In(2), and one Te(1) atom. All Pt(1)-Pt(1) bond lengths are 3.31 Å. The Pt(1)-In(1) bond length is 3.26 Å. The Pt(1)-In(2) bond length is 3.26 Å. The Pt(1)-Te(1) bond length is 2.82 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to one Pt(1), one In(2), four equivalent In(1), and one Te(1) atom. The In(1)-In(2) bond length is 2.99 Å. All In(1)-In(1) bond lengths are 3.31 Å. The In(1)-Te(1) bond length is 3.41 Å. In the second In site, In(2) is bonded in a 1-coordinate geometry to one Pt(1), one In(1), and one Te(1) atom. The In(2)-Te(1) bond length is 1.61 Å. Te(1) is bonded in a 1-coordinate geometry to one Pt(1), one In(1), and one In(2) atom.