data_Bi2TePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi2 Te1 Pt1'
_cell_volume   108.17
_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
  Bi  Bi0  1  0.68  0.68  0.0  1.0
  Bi  Bi1  1  0.68  0.68  0.57  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.79  1.0

data_Bi2TePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2TePt
_chemical_formula_sum   'Bi4 Te2 Pt2'
_cell_volume   216.34
_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
  Bi  Bi0  2  0.18  0.5  0.0  1.0
  Bi  Bi1  2  0.18  0.5  0.57  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.79  1.0

Bi Bi Te Pt
Bi Bi Te Pt 0 2 + + o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 2 3 o o - 
PtBi2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PtBi2Te clusters. Pt(1) is bonded in a 2-coordinate geometry to one Bi(2) and one Te(1) atom. The Pt(1)-Bi(2) bond length is 2.57 Å. The Pt(1)-Te(1) bond length is 2.06 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The Bi(1)-Te(1) bond length is 1.52 Å. In the second Bi site, Bi(2) is bonded in a distorted single-bond geometry to one Pt(1) atom. Te(1) is bonded in a 2-coordinate geometry to one Pt(1) and one Bi(1) atom.